SCHEMBL1326257

SCHEMBL1326257

PC(c1ccccc1)(c1ccccc1)c1ccccc1-c1ccccc1C(P)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 7/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.32
CYP2C9 P11712 1/20 0.31
KIF11 P52732 1/20 0.31
KCNE1 P15382 1/20 0.31
KCNQ1 P51787 1/20 0.31
CYP1A2 P05177 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL19002958 0.91 KCNN4 (0.31) KCNN4ALDH1A1TSHR
SCHEMBL411476 0.89 ALDH1A1 (0.38) KCNN4ALDH1A1TSHRMAPK1CYP2C9
SCHEMBL19002936 0.88 NPC1 (0.32) ALDH1A1
SCHEMBL1368134 0.87 KCNN4 (0.41) KCNN4ALDH1A1TSHRESR1ESR2
Iodide SCHEMBL3443160 0.87 ALDH1A1 (0.37) KCNN4ALDH1A1TSHRMAPK1CYP2C9
SCHEMBL21530763 0.87 KCNN4 (0.31) KCNN4ALDH1A1TSHR
SCHEMBL2571569 0.87 ALDH1A1 (0.37) KCNN4ALDH1A1TSHRMAPK1CYP2C9
Bromide SCHEMBL659623 0.87 ALDH1A1 (0.37) KCNN4ALDH1A1TSHRMAPK1CYP2C9
Hydrochloric Acid SCHEMBL465147 0.87 ALDH1A1 (0.37) KCNN4ALDH1A1TSHRMAPK1CYP2C9
Water SCHEMBL10839715 0.87 ALDH1A1 (0.37) KCNN4ALDH1A1TSHRMAPK1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714206-B2 Methyl-iodide-free carbonylation of an alcohol to its homologous aldehyde and/or alcohol EASTMAN CHEMICAL COMPANY (US) 2017-07-25 US claimed
US-20160185701-A1 METHYL-IODIDE-FREE CARBONYLATION OF AN ALCOHOL TO ITS HOMOLOGOUS ALDEHYDE AND/OR ALCOHOL EASTMAN CHEMICAL COMPANY (US) 2016-06-30 US claimed
US-6051743-A Process for the preparation of predominantly unbranched higher primary alcohols HOECHST AKTIENGESELLSCHAFT (DE) 2000-04-18 US claimed
EP-0695734-B1 Process for the preparation of aldehydes BASF AG (DE) 1998-12-23 EP claimed
US-5696297-A Preparation of aldehydes BASF AKTIENGESELLSCHAFT (DE) 1997-12-09 US claimed
JP-2650699-B2 1997-09-03 JP claimed
EP-0695734-A1 Process for the preparation of aldehydes BASF AKTIENGESELLSCHAFT (DE) 1996-02-07 EP claimed
EP-0491240-B1 Process for preparing water soluble sulphonated diphosphanes HOECHST AG (DE) 1995-07-05 EP claimed
EP-0446301-B1 PREPARATION OF BIARYL COMPOUNDS EASTMAN CHEM CO (US) 1994-11-23 EP claimed
EP-0602442-A2 Method for the production of higher primary alcohols, predominantly unbranched HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 EP claimed
EP-0311619-B1 CHELATE LIGANDS FOR LOW PRESSURE HYDROFORMYLATION CATALYST AND PROCESS EMPLOYING SAME EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1991-03-06 EP claimed
WO-1990006295-A1 PREPARATION OF BIARYL COMPOUNDS EASTMAN KODAK COMPANY (US) 1990-06-14 WO claimed
EP-0366573-A1 Preparation of biaryl compounds EASTMAN CHEMICAL COMPANY (US) 1990-05-02 EP claimed
US-4912276-A Preparation of biaryl compounds EASTMAN KODAK COMPANY (US) 1990-03-27 US claimed
US-4904808-A Chelate ligands for low pressure hydroformylation catalyst and process employing same EASTMAN KODAK COMPANY (US) 1990-02-27 US claimed
US-4851581-A PHOSPHINO COMPOUNDS EASTMAN KODAK COMPANY (US) 1989-07-25 US claimed
EP-0311619-A1 CHELATE LIGANDS FOR LOW PRESSURE HYDROFORMYLATION CATALYST AND PROCESS EMPLOYING SAME. EASTMAN KODAK CO (US) 1989-04-19 EP claimed
US-4742178-A RHODIUM COMPLEX CATALYST EASTMAN KODAK COMPANY (US) 1988-05-03 US claimed
WO-1987007600-A2 CHELATE LIGANDS FOR LOW PRESSURE HYDROFORMYLATION CATALYST AND PROCESS EMPLOYING SAME EASTMAN KODAK COMPANY (US) 1987-12-17 WO claimed
US-4694109-A Chelate ligands for low pressure hydroformylation catalyst and process employing same EASTMAN KODAK COMPANY (US) 1987-09-15 US 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 (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-20160185701-A1 METHYL-IODIDE-FREE CARBONYLATION OF AN ALCOHOL TO ITS HOMOLOGOUS ALDEHYDE AND/OR ALCOHOL ADH1C, ADH5, ADH1A KCNN4 891/4885ALDH1A1 42/4885TSHR 1031/4885

“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.