SCHEMBL2355196

SCHEMBL2355196

CCOc1cc(C(=O)O)ccc1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.68
POLB P06746 2/20 0.57
CASP6 P55212 1/20 0.57
MRGPRX4 Q96LA9 1/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
TPMT P51580 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
GAA P10253 2/20 0.49
TTR P02766 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL27051718 0.86 KMT2A (0.55) TSHRPOLBCASP6MEN1KMT2A
SCHEMBL18652101 0.86 CREBBP (0.63) TSHRMEN1KMT2AHTTMAPK1
SCHEMBL701512 0.86 TSHR (0.68) TSHRPOLBCASP6MRGPRX4LMNA
SCHEMBL177424 0.85 TSHR (0.83) TSHRPOLBCASP6MRGPRX4LMNA
SCHEMBL29882038 0.85 TSHR (0.83) TSHRPOLBCASP6MRGPRX4LMNA
SCHEMBL23792966 0.85 TSHR (0.59) TSHRPLA2G4BALDH1A1
SCHEMBL670450 0.84 HSD17B2 (0.59) TSHRLMNAMEN1KMT2ACA12
SCHEMBL30469408 0.84 HSD17B2 (0.59) TSHRLMNAMEN1KMT2ACA12
SCHEMBL15101072 0.84 MAPK1 (0.69) TSHRLMNAMEN1KMT2AHTT
SCHEMBL2773040 0.84 TSHR (0.70) TSHRPOLBCASP6MRGPRX4LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240027903-A1 Resist Material And Patterning Process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-25 US disclosed
WO-2021178907-A1 STAT INHIBITORY COMPOUNDS AND COMPOSITIONS JANPIX, LTD. (US) 2021-09-10 WO disclosed
WO-2021178857-A1 ALPHA SUBSTITUTED STAT INHIBITORS AND COMPOSITIONS THEREOF JANPIX, LTD. (US) 2021-09-10 WO disclosed
US-20170008888-A1 HETEROCYCLIC COMPOUNDS ACTIVX BIOSCIENCES, INC. 2017-01-12 US disclosed
WO-2014063199-A1 ORGANIC COMPOUNDS AKAAL PHARMA PTY LTD (AU) 2014-05-01 WO disclosed
US-8008525-B2 For the 14273 peroxisome proliferator activated receptor; antidiabetic agents, hyperlipidemia, obesity or anorexia; receptor binding assay; drug screening kits TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-30 US disclosed
US-20080167378-A1 Receptor Function Regulation Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 US disclosed
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-1688138-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2006-08-09 EP 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 (4 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-20080167378-A1 Receptor Function Regulation Agent GPR119, INSR, GPR88 TSHR 41/4885POLB 4825/4885CASP6 3498/4885
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 TSHR 1671/4885POLB 4575/4885CASP6 3397/4885
US-20170008888-A1 HETEROCYCLIC COMPOUNDS BET1, EP300, RBBP5 TSHR 3961/4885POLB 1717/4885CASP6 2810/4885
US-20240027903-A1 Resist Material And Patterning Process LBR, HNRNPU, EWSR1 TSHR 2364/4885POLB 1145/4885CASP6 2034/4885

“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.