SCHEMBL301328

SCHEMBL301328

[CH2]OC(=O)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
MAPK1 P28482 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
PAM P19021 1/20 0.59
TSHR P16473 1/20 0.57
CES1 P23141 2/20 0.56
CES2 O00748 1/20 0.56
AKR1B1 P15121 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CYP19A1 P11511 1/20 0.47
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
CNR2 P34972 1/20 0.46
CTBP2 P56545 1/20 0.45

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
SCHEMBL248113 0.81 ALDH1A1 (0.65) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL664857 0.81 ALDH1A1 (0.65) ALDH1A1MAPK1L3MBTL1PAMTSHR
Benzene SCHEMBL9407299 0.81 ALDH1A1 (0.65) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL247574 0.79 MAPK1 (0.63) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL2877979 0.79 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL6957861 0.78 L3MBTL1 (0.45) ALDH1A1MAPK1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL15514077 0.78 POLB (0.53) ALDH1A1MAPK1L3MBTL1TSHRSMN1; SMN2
SCHEMBL4642266 0.78 ALDH1A1 (0.57) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL305415 0.78 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL6964756 0.78 CYP19A1 (0.58) ALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714560-B2 Protected scale inhibitors and methods relating thereto HALLIBURTON ENERGY SERVICES, INC. (US) 2017-07-25 US claimed
US-9493469-B2 Piperidine inhibitors of Janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2016-11-15 US claimed
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 US claimed
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP claimed
US-20140294973-A1 PHARMACEUTICAL COMPOSITIONS OF HYDROPHOBIC CAMPTOTHECIN DERIVATIVES TAIWAN LIPOSOME COMPANY, LTD. (TW) 2014-10-02 US claimed
EP-2773346-A1 PHARMACEUTICAL COMPOSITIONS OF HYDROPHOBIC CAMPTOTHECIN DERIVATIVES Taiwan Liposome Company, Ltd. (TW) 2014-09-10 EP claimed
US-8779138-B2 Camptothecin derivatives as chemoradiosensitizing agents Sutter West Bay Hospital (US) 2014-07-15 US claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 EP claimed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO claimed
US-8563537-B2 Camptothecin derivatives as chemoradiosensitizing agents Sutter West Bay Hospital (US) 2013-10-22 US claimed
US-5587373-A ELASTASE INHIBITORS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-12-24 US claimed
EP-0337704-B1 Beta-lactam derivatives PHARMACIA SPA (IT) 1995-06-14 EP claimed
EP-0639195-A1 2-ACYLOXYCEPHEM DERIVATIVES AS ELASTASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1995-02-22 EP claimed
WO-1994020504-A1 2-ACYLOXYCEPHEM DERIVATIVES AS ELASTASE INHIBITORS FARMITALIA CARLO ERBA S.R.L. (IT) 1994-09-15 WO claimed
EP-0505413-A1 BETA-LACTAM DERIVATIVES. ERBA FARMITALIA (IT) 1992-09-30 EP claimed
US-5077286-A Human leukocyte elastase inhibitor FARMITALIA CARLO ERBA S.R.L. (IT) 1991-12-31 US claimed
WO-1991009036-A1 BETA-LACTAM DERIVATIVES FARMITALIA CARLO ERBA S.R.L. (IT) 1991-06-27 WO claimed
US-4898939-A Process for preparing 2β-substituted-methylpenicillin derivatives TAIHO PHARMACEUTICAL CO., LTD. (JP) 1990-02-06 US claimed
EP-0337229-A2 Substituted pyri(mi)dines BAYER AG (DE) 1989-10-18 EP claimed
EP-0337704-A2 Beta-lactam derivatives PHARMACIA S.p.A. (IT) 1989-10-18 EP claimed

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-20140294973-A1 PHARMACEUTICAL COMPOSITIONS OF HYDROPHOBIC CAMPTOTHECIN DERIVATIVES PTEN, LIPA, PHOSPHO1 ALDH1A1 2697/4885MAPK1 2610/4885L3MBTL1 4747/4885
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS CAT, HSF1, HPD ALDH1A1 24/4885MAPK1 702/4885L3MBTL1 3668/4885

“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.