SCHEMBL498076

SCHEMBL498076

c1ccc([C]2CCCO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NAMPT P43490 1/20 0.38
ALDH1A1 P00352 2/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
ACHE P22303 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 2/20 0.32
CRHBP P24387 1/20 0.31

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
SCHEMBL4722064 0.93 CHRNB4 (0.38) ATMTDP1NAMPTALDH1A1FAAH
SCHEMBL1534886 0.82 ALDH1A1 (0.42) ALDH1A1FAAHMGLLNCOA3ITGB2
SCHEMBL4721667 0.77 ALDH1A1 (0.33) ATMTDP1ALDH1A1FAAHMGLL
SCHEMBL14895756 0.76 CHRNB4 (0.45) CHRNB4CHRNA3
SCHEMBL14893873 0.76 CHRNB4 (0.45) ALDH1A1ACHECHRNB4CHRNA3KMT2A
Biphenyl SCHEMBL27817926 0.73 CA1 (0.56) ATMTDP1NAMPTALDH1A1FAAH
SCHEMBL15517427 0.72 GALR1 (0.44)
SCHEMBL5710313 0.71 CHRM2 (0.33)
SCHEMBL9860616 0.71 KMT2A (0.39) ATMTDP1NAMPTALDH1A1ACHE
SCHEMBL2697682 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0253767-A1 Parasiticide and insecticide CIBA-GEIGY AG (CH) 1988-01-20 EP claimed
CN-109982995-B Preparation of amino acids and amino acid derivatives 优美科股份公司及两合公司 2022-09-30 CN disclosed
CN-109912579-A A kind of preparation method of 2,2- disubstituted tetrahydrofuran derivatives 华中科技大学 2019-06-21 CN disclosed
EP-2157084-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA CO (JP) 2013-05-22 EP disclosed
US-8106053-B2 5-phenyl-3-pyridazinone derivative KOWA COMPANY, LTD. 2012-01-31 US disclosed
EP-2356124-A1 GAMMA SECRETASE MODULATORS Schering Corporation (US) 2011-08-17 EP disclosed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
US-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA COMPANY, LTD. (JP) 2010-08-05 US disclosed
WO-2010054064-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-05-14 WO disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
EP-1866317-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-19 EP disclosed
EP-1844052-A1 THIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION Pharmacia & Upjohn Company LLC (US) 2007-10-17 EP disclosed
WO-2006103544-A2 4-PIPERAZINYLTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
WO-2006103545-A1 4-PIPERAZINYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO disclosed
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 WO disclosed
EP-0253767-A1 Parasiticide and insecticide CIBA-GEIGY AG (CH) 1988-01-20 EP disclosed
US-4306930-A INCORPORATING A HYDRAZIDE OR DIHYDRAZIDE AND THEN VULCANIZING IN CONTACT WITH A METAL CIBA-GEIGY CORPORATION (US) 1981-12-22 US disclosed
US-4077948-A N-SALICYLIDENE-N*-SALICYLHYDRAZIDES CIBA-GEIGY CORPORATION (US) 1978-03-07 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 (2 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-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE SERPINE1, MMP1, PLAT ATM 1477/4885TDP1 1740/4885NAMPT 2709/4885
US-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI ATM 356/4885TDP1 1293/4885NAMPT 3138/4885

“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.