SCHEMBL423296

SCHEMBL423296

CC(C)c1cc(F)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.49
PSEN2 P49810 6/20 0.49
APH1B Q8WW43 6/20 0.49
NCSTN Q92542 6/20 0.49
APH1A Q96BI3 6/20 0.49
PSENEN Q9NZ42 6/20 0.49
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
RECQL P46063 1/20 0.41
KCNH2 Q12809 2/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL16105638 0.85 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12197672 0.82 CYP1A2 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19633471 0.82 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18588971 0.81 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16960712 0.81 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15854160 0.81 CES2 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL265533 0.81 CES2 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1601682 0.81 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20993262 0.81 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19203758 0.81 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION 2024-07-18 US disclosed
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION 2024-07-18 US disclosed
US-11912686-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-02-27 US disclosed
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
EP-3746421-B1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNIV VANDERBILT (US) 2023-11-29 EP disclosed
US-11826351-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY INC. (US) 2023-11-28 US disclosed
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2023-11-23 US disclosed
US-20230373950-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. 2023-11-23 US disclosed
US-20230373950-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. 2023-11-23 US disclosed
US-20230357279-A1 SPIROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2023-11-09 US disclosed
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7166596-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-7166596-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 WO 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 (10 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-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 PSEN1 2098/4885PSEN2 3311/4885APH1B 374/4885
US-20230373950-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF IKZF2, IKZF1, IKZF3 PSEN1 1946/4885PSEN2 1523/4885APH1B 2058/4885
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 PSEN1 1609/4885PSEN2 2417/4885APH1B 2292/4885
US-11826351-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK PSEN1 4635/4885PSEN2 4636/4885APH1B 3468/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A PSEN1 537/4885PSEN2 1140/4885APH1B 851/4885
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 PSEN1 2198/4885PSEN2 1862/4885APH1B 2272/4885
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE ACE2, ACE, TMPRSS2 PSEN1 521/4885PSEN2 299/4885APH1B 636/4885
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK PSEN1 4635/4885PSEN2 4636/4885APH1B 3468/4885
US-20230357279-A1 SPIROCYCLIC COMPOUNDS PKD1, PKD2, CCNI PSEN1 2454/4885PSEN2 2100/4885APH1B 2123/4885
US-11912686-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 PSEN1 4269/4885PSEN2 4118/4885APH1B 3618/4885

“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.