SCHEMBL2012032

SCHEMBL2012032

CC(C)(C)C(P)(c1ccccc1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALOX15 P16050 1/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
CYP3A4 P08684 1/20 0.41
KCNN4 O15554 4/20 0.40
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP2B6 P20813 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 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
SCHEMBL27780027 0.85 KIF11 (0.48) MAPK1ALDH1A1TAAR1ESR1ESR2
SCHEMBL2341327 0.81 ESR1 (0.41) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL3264960 0.78 MAPK1 (0.46) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL3708602 0.77 MAPK1 (0.50) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL842144 0.77 MAPK1 (0.50) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL6055442 0.75 CYP2C19 (0.42) MAPK1ALDH1A1TAAR1ALOX15ESR1
Bromide SCHEMBL8601711 0.74 MAPK1 (0.48) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL34188 0.74 ALDH1A1 (0.40) MAPK1ALDH1A1TSHR
SCHEMBL29624141 0.74 ALDH1A1 (0.40) MAPK1ALDH1A1TSHR
Tert-Butylbenzene SCHEMBL28274873 0.74 MAPK1 (0.48) MAPK1ALDH1A1TAAR1ALOX15ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265240-B2 With CO in the presence of a source of hydroxyl groups (water or an alcohol) and a catalyst obtained by combining a Group VIII metal or a compound thereof and a bidentate phosphine, e.g., tri(dibenzylideneacetone)di-palladium LUCITE INTERNATIONAL UK LIMITED (GB) 2007-09-04 US claimed
CN-1140532-C Process for preparation of bisphosphines 卢西特国际英国有限公司 2004-03-03 CN claimed
CN-1293675-A Process for preparation of bisphosphines INIOS ACRYLIC ACID BRITISH PLC (GB) 2001-05-02 CN claimed
CN-115772195-A Pyridine-based phosphine ligand compound and application thereof 惠州凯特立斯科技有限公司 2023-03-10 CN disclosed
CN-110312701-A Process for preparing unsaturated carboxylic acids by carbonylation of allyl alcohol and acylates thereof 巴斯夫欧洲公司 2019-10-08 CN disclosed
US-20190248815-A1 ORGANIC MAGNESIUM PHOSPHIDE AND MANUFACTURING METHOD THEREOF, ORGANIC MAGNESIUM PHOSPHIDE COMPLEX AND MANUFACTURING METHOD THEREOF, AND MANUFACTURING METHOD OF ORGANIC PHOSPHORUS COMPOUND USING SAID PHOSPHIDE HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2019-08-15 US disclosed
EP-3480204-A1 ORGANIC MAGNESIUM PHOSPHIDE AND METHOD FOR PRODUCING SAME, ORGANIC MAGNESIUM PHOSPHIDE COMPLEX AND METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING ORGANIC PHOSPHORUS-CONTAINING COMPOUND USING SAID PHOSPHIDE Hokko Chemical Industry Co., Ltd. (JP) 2019-05-08 EP disclosed
CN-109476680-A The manufacturing method of organic magnesium phosphide and manufacturing method, its complex compound and manufacturing method and the organic phosphorus compound using the phosphide 北兴化学工业株式会社 2019-03-15 CN disclosed
CN-107980011-A The method of homogeneous catalysis reduction amination carbonyls 巴斯夫欧洲公司 2018-05-01 CN disclosed
CN-107629093-A Double (phosphino-) ferrocene ligands of 1,1` for alkoxycarbonylation 赢创德固赛有限公司 2018-01-26 CN disclosed
CN-107628952-A Method for making alkene alkoxycarbonylation in the medium with low Bronsted acid concentration 赢创德固赛有限公司 2018-01-26 CN disclosed
WO-2006084891-A1 PROCESS FOR THE CARBONYLATION OF A CONJUGATED DIENE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2006-08-17 WO disclosed
CN-1816513-A Process for the hydroformylation of olefinically unsaturated compounds LUCITE INT UK LTD (GB) 2006-08-09 CN disclosed
CN-1795164-A Process for the carbonylation of a conjugated diene SHELL INT RESEARCH (NL) 2006-06-28 CN disclosed
CN-1795159-A Method for hydrocarboxylation of ethylenically unsaturated carboxylic acids SHELL INT RESEARCH (NL) 2006-06-28 CN disclosed
EP-1625109-A1 PROCESS FOR THE CARBONYLATION OF A CONJUGATED DIENE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2006-02-15 EP disclosed
WO-2004103948-A1 PROCESS FOR THE CARBONYLATION OF A CONJUGATED DIENE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2004-12-02 WO disclosed
CN-1073546-C Process for carbonylation of ethylene and catalyst system for use thereof INIOS ACRYLIC ACID BRITISH PLC (GB) 2001-10-24 CN disclosed
CN-1276779-A Production of esters INIOS ACRYLIC G B LTD (GB) 2000-12-13 CN disclosed
CN-1171098-A Process for the carbonylation of ethylene and catalyst system for use therein ICI PLC (GB) 1998-01-21 CN 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 (1 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-20190248815-A1 ORGANIC MAGNESIUM PHOSPHIDE AND MANUFACTURING METHOD THEREOF, ORGANIC MAGNESIUM PHOSPHIDE COMPLEX AND MANUFACTURING METHOD THEREOF, AND MANUFACTURING METHOD OF ORGANIC PHOSPHORUS COMPOUND USING SAID PHOSPHIDE IPMK, PPIP5K2, PIP4K2C MAPK1 1764/4885ALDH1A1 4699/4885TAAR1 1465/4885

“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.