SCHEMBL1531083

SCHEMBL1531083

[CH2]C(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.53
USP5 P45974 1/20 0.52
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2D6 P10635 1/20 0.45
HIF1A Q16665 1/20 0.45
TYR P14679 2/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 2/20 0.43
RAB9A P51151 2/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL84429 0.81 HTT (0.61) CYP2C9USP5HTTSMN1; SMN2MEN1
SCHEMBL9420297 0.80 CYP2C9 (0.57) CYP2C9USP5HTTSMN1; SMN2MEN1
SCHEMBL18950259 0.80 CYP2C9 (0.57) CYP2C9USP5HTTSMN1; SMN2MEN1
SCHEMBL1148332 0.80 CNR1 (0.58) CYP2C9USP5HTTSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL4670024 0.79 HTT (0.59) CYP2C9USP5HTTSMN1; SMN2MEN1
SCHEMBL19512183 0.79 HTT (0.59) CYP2C9USP5HTTSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL4372836 0.79 HTT (0.59) CYP2C9USP5HTTSMN1; SMN2MEN1
Water SCHEMBL4672025 0.79 HTT (0.59) CYP2C9USP5HTTSMN1; SMN2MEN1
SCHEMBL182327 0.78 CYP2C9 (0.55) CYP2C9USP5HTTSMN1; SMN2MEN1
SCHEMBL105270 0.78 RXRA (0.62) CYP2C9USP5HTTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785425-B2 11β-hydroxyandrosta-4-ene-3-ones SUN PHARMA ADVANCED RESEARCH COMPANY LTD. 2014-07-22 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1362852-B1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 2011-04-06 EP disclosed
EP-2292606-A1 Pyrazole derivative, its intermediate, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2011-03-09 EP disclosed
US-7767827-B2 Pyrazole-1-carboxylate derivatives, process for the production thereof and process for the production of pyrazole derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-08-03 US disclosed
US-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-06-17 US disclosed
US-7700786-B2 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-04-20 US disclosed
US-7566683-B2 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-07-28 US disclosed
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2005-03-31 US disclosed
US-20030216394-A1 Etylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-20 US disclosed
EP-1362852-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-11-19 EP disclosed
EP-1360901-A1 2,3-cyclic substituted derivatives of 3-hydroxyacrolein and 3-hydroxyacrylic acid as pesticides NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2003-11-12 EP disclosed
EP-0913392-B1 ETHYLENE DERIVATIVES AND PEST CONTROLLING AGENTS NISSAN CHEMICAL IND LTD (JP) 2003-07-02 EP disclosed
US-6462049-B1 LOW TOXICITY AND PERSISTENT INSECTICIDES AND FUNGICIDES; PREVENTING ATTACHMENT OF AQUATIC ORGANISMS; ECOSYSTEM FRIENDLY; NONPOLLUTING NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-10-08 US disclosed
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 WO disclosed
US-6063734-A AGRICULTURAL CHEMICALS, AGENTS FOR PREVENTING ATTACHMENT OF AQUATIC ORGANISMS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-16 US disclosed
EP-0913392-A1 ETHYLENE DERIVATIVES AND PEST CONTROLLING AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-05-06 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 (3 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-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT CYP51A1, CYP4F11, WEE1 CYP2C9 68/4885USP5 2093/4885HTT 2758/4885
US-20030216394-A1 Etylene derivatives and pesticides containing said derivatives DDT, ECE1, EBPL CYP2C9 94/4885USP5 1688/4885HTT 3178/4885
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient CYP51A1, CYP4F11, WEE1 CYP2C9 68/4885USP5 2093/4885HTT 2758/4885

“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.