SCHEMBL2551861

SCHEMBL2551861

CC(C)(C)P(c1ccc(C(F)(F)F)cc1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
KIF11 P52732 6/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ORAI1 Q96D31 1/20 0.38
ORAI2 Q96SN7 1/20 0.38
ORAI3 Q9BRQ5 1/20 0.38
TRPV6 Q9H1D0 1/20 0.38
MGLL Q99685 1/20 0.38
TAAR1 Q96RJ0 1/20 0.35
AHR P35869 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL14811633 0.98 ALDH1A1 (0.39) ALDH1A1TSHRKIF11CES2CES1
Hydrochloric Acid SCHEMBL9938710 0.96 KIF11 (0.40) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL23145206 0.92 AHR (0.35) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL2557952 0.82
SCHEMBL2548631 0.80 TSHR (0.48) ALDH1A1TSHRKIF11
SCHEMBL3817848 0.79 ALDH1A1 (0.39) ALDH1A1TSHRKIF11CES2CES1
Hydrochloric Acid SCHEMBL29591258 0.78 TSHR (0.46) ALDH1A1TSHRKIF11
SCHEMBL29670197 0.78 TSHR (0.46) ALDH1A1TSHRKIF11
SCHEMBL2550800 0.76 CES2 (0.38) KIF11CES2
SCHEMBL2550798 0.76 MEN1 (0.35) ALDH1A1TSHRKIF11TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105392791-B Improved process for preparing chlorinated biphenylanilides and biphenylanilides 拜耳作物科学股份公司 2019-02-22 CN claimed
EP-3024836-B1 IMPROVED METHOD FOR THE PREPARATION OF CHLORINATED BIPHENYLANILIDES AND BIPHENYLANILINES BAYER CROPSCIENCE AG (DE) 2018-07-11 EP claimed
EP-2922813-B1 HYDROCARBONYLATION OR METHOXYCARBONYLATION OF 1,3-DIENE DERIVATIVES WITH PALLADIUM COMPLEX FIRMENICH & CIE (CH) 2016-10-12 EP claimed
US-20160280635-A1 IMPROVED PROCESS FOR PREPARING CHLORINATED BIPHENYLANILIDES AND BIPHENYLANILINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-09-29 US claimed
US-9376365-B2 Hydrocarbonylation or methoxycarbonylation of 1,3-diene derivatives with palladium complex FIRMENICH SA (CH) 2016-06-28 US claimed
EP-3024836-A1 IMPROVED PROCESS FOR PREPARING CHLORINATED BIPHENYLANILIDES AND BIPHENYLANILINES Bayer CropScience Aktiengesellschaft (DE) 2016-06-01 EP claimed
US-20150299085-A1 HYDROCARBONYLATION OR METHOXYCARBONYLATION OF 1,3-DIENE DERIVATIVES WITH PALLADIUM COMPLEX FIRMENICH SA (CH) 2015-10-22 US claimed
WO-2015011032-A1 IMPROVED PROCESS FOR PREPARING CHLORINATED BIPHENYLANILIDES AND BIPHENYLANILINES BAYER CROPSCIENCE AG (DE) 2015-01-29 WO claimed
US-20250368598-A1 CATALYTIC CARBOXYCARBONYLATION OF ALKENES TO FORM ANHYDRIDES BHATTACHARYA SHRABANTI (US) 2025-12-04 US disclosed
CN-119998255-A Catalytic carboxycarbonylation of olefins to form anhydrides 北卡罗来纳大学教堂山分校 2025-05-13 CN disclosed
CN-119735558-A Preparation method and intermediate of aza-quinolinone derivative 成都苑东生物制药股份有限公司 2025-04-01 CN disclosed
CN-119677765-A Method for producing antibiotic macrocyclic peptides 豪夫迈·罗氏有限公司 2025-03-21 CN disclosed
US-20250051363-A1 Substituted Pyrazolopyridines NEURO3 THERAPEUTICS INC (US) 2025-02-13 US disclosed
WO-2025029897-A1 SUBSTITUTED PYRAZOLOPYRIDINES NEURO3 THERAPEUTICS, INC. (US) 2025-02-06 WO disclosed
US-7847126-B2 prepared by reacting phosphorus halide with organomagnesium compound in presence of copper compound; di(tert-butyl)phenylphosphonium tetrafluoroborate, for example LANXESS DEUTSCHLAND GMBH (DE) 2010-12-07 US disclosed
EP-1354886-B1 Process for the preparation of tertiary phosphines SALTIGO GMBH (DE) 2009-08-26 EP disclosed
US-20070299273-A1 prepared by reacting phosphorus halide with organomagnesium compound in presence of copper compound; di(tert-butyl)phenylphosphonium tetrafluoroborate, for example LANXESS DEUTSCHLAND GMBH (DE) 2007-12-27 US disclosed
US-7230136-B2 Reacting phosphorus halide with organomagnesium compound in presence of copper compound LANXESS DEUTSCHLAND GMBH (DE) 2007-06-12 US disclosed
US-20030229240-A1 Reacting phosphorus halide with organomagnesium compound in presence of copper compound LANXESS DEUTSCHLAND GMBH (DE) 2003-12-11 US disclosed
EP-1354886-A1 Process for the preparation of tertiary phosphines Bayer Aktiengesellschaft (DE) 2003-10-22 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 (4 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-20250368598-A1 CATALYTIC CARBOXYCARBONYLATION OF ALKENES TO FORM ANHYDRIDES CA4, CA12, CA14 ALDH1A1 688/4885TSHR 4615/4885KIF11 2722/4885
US-20250051363-A1 Substituted Pyrazolopyridines QDPR, DPYD, P2RX4 ALDH1A1 729/4885TSHR 2797/4885KIF11 3952/4885
US-20150299085-A1 HYDROCARBONYLATION OR METHOXYCARBONYLATION OF 1,3-DIENE DERIVATIVES WITH PALLADIUM COMPLEX PHOSPHO1, PDCD1LG2, PDK2 ALDH1A1 384/4885TSHR 4460/4885KIF11 3305/4885
US-20160280635-A1 IMPROVED PROCESS FOR PREPARING CHLORINATED BIPHENYLANILIDES AND BIPHENYLANILINES CYP2F1, CYP1A1, CYP4F12 ALDH1A1 798/4885TSHR 661/4885KIF11 868/4885

“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.