SCHEMBL12305

SCHEMBL12305

CCc1cccc(COC)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
IDO1 P14902 4/20 0.42
AGXT P21549 2/20 0.42
MGLL Q99685 1/20 0.40
SOD1 P00441 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
FFAR1 O14842 1/20 0.40
KDM1A O60341 1/20 0.39
ERN1 O75460 1/20 0.39
BCL2 P10415 1/20 0.38
MAOB P27338 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL487468 0.91 IDO1 (0.48) IDO1AGXTFFAR1ERN1MAOB
SCHEMBL8750461 0.84 TSHR (0.50) TP53KDM4EALDH1A1IDO1AGXT
SCHEMBL9544860 0.83 FFAR1 (0.41) IDO1AGXTFFAR1
SCHEMBL14962810 0.83 IDO1 (0.40) TP53IDO1AGXTFFAR1ERN1
SCHEMBL166894 0.83 TP53 (0.61) TP53ALDH1A1IDO1MGLLCYP1A2
SCHEMBL19567996 0.81 BCL2 (0.50) TP53AGXTFFAR1ERN1BCL2
SCHEMBL10015636 0.80 PTGS2 (0.46) TP53ALDH1A1CYP1A2CYP2A6
SCHEMBL10063636 0.80 PTGS2 (0.46) TP53ALDH1A1CYP1A2CYP2A6
SCHEMBL13274041 0.80 SOD1 (0.42) TP53KDM4EALDH1A1IDO1AGXT
SCHEMBL14700071 0.80 IDO1 (0.64) IDO1AGXT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219945-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-13 US disclosed
US-20230072658-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-03-09 US disclosed
WO-2021154966-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN TREATING SKIN DISORDERS KAMARI PHARMA LTD. (IL) 2021-08-05 WO disclosed
US-10544124-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-28 US disclosed
US-10392377-B2 Substituted 2-imino-1,3-thiazolidin-4-ones as N-arachidonoylethanolamine cellular uptake inhibitors UNIVERSITAT BERN (CH) 2019-08-27 US disclosed
US-10308975-B2 Substituted imidazo[1,2-a]pyrazines as luciferase substrates PROMEGA CORPORATION (US) 2019-06-04 US disclosed
US-20190047982-A1 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-14 US disclosed
US-20180223330-A1 COELENTERAZINE ANALOGUES JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2018-08-09 US disclosed
EP-2534152-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-02 EP disclosed
US-9924073-B2 Substituted imidazo[1,2-a]pyrazines as luciferase substrates and preparation method thereof PROMEGA CORPORATION (US) 2018-03-20 US disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 US disclosed
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
US-7417053-B2 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2008-08-26 US disclosed
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-08-14 US disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 US disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 US disclosed
US-20070254920-A1 Prodrug derivatives of acids using alcohols with homotopic hydroxy groups and methods for their preparation and use AERIE PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 US disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 TP53 4865/4885KDM4E 2122/4885ALDH1A1 3515/4885
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 TP53 243/4885KDM4E 1877/4885ALDH1A1 3152/4885
US-20190047982-A1 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides DDT, CYP4X1, CYP4Z1 TP53 4135/4885KDM4E 231/4885ALDH1A1 3432/4885
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE TP53 3660/4885KDM4E 1290/4885ALDH1A1 412/4885
US-10392377-B2 Substituted 2-imino-1,3-thiazolidin-4-ones as N-arachidonoylethanolamine cellular uptake inhibitors CNR2, CNR1, GPR18 TP53 4774/4885KDM4E 4056/4885ALDH1A1 609/4885
US-20070254920-A1 Prodrug derivatives of acids using alcohols with homotopic hydroxy groups and methods for their preparation and use HCAR1, HCAR2, PAICS TP53 2769/4885KDM4E 3612/4885ALDH1A1 102/4885
US-20180223330-A1 COELENTERAZINE ANALOGUES GLB1, SI, TCF7L2 TP53 3508/4885KDM4E 3302/4885ALDH1A1 3541/4885
US-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 TP53 4008/4885KDM4E 1919/4885ALDH1A1 1638/4885
US-20230219945-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TP53 1474/4885KDM4E 190/4885ALDH1A1 2776/4885
US-10308975-B2 Substituted imidazo[1,2-a]pyrazines as luciferase substrates AADAC, PGLS, GLB1 TP53 2534/4885KDM4E 4263/4885ALDH1A1 1104/4885
US-20230072658-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCB1, SMARCE1 TP53 612/4885KDM4E 624/4885ALDH1A1 3736/4885
US-10544124-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides DDT, CYP4X1, CYP4Z1 TP53 4135/4885KDM4E 231/4885ALDH1A1 3432/4885
US-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 TP53 4092/4885KDM4E 3977/4885ALDH1A1 422/4885
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A TP53 3540/4885KDM4E 2645/4885ALDH1A1 4391/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.