SCHEMBL749097

SCHEMBL749097

PC(c1ccccc1)(c1ccccc1)C1CCC1C(P)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.38
TSHR P16473 2/20 0.38
CYP2D6 P10635 2/20 0.38
LMNA P02545 2/20 0.38
HRH1 P35367 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
SCN1A P35498 1/20 0.38
KMT2A Q03164 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
MAPK1 P28482 2/20 0.34
CYP1A2 P05177 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL3502282 1.00 KCNN4 (0.38) KCNN4TSHRCYP2D6LMNAHRH1
SCHEMBL5172183 0.90 KEAP1 (0.42) KCNN4TSHRCYP2D6LMNAHRH1
SCHEMBL8872460 0.90 KEAP1 (0.38) KCNN4TSHRCYP2D6LMNAHRH1
SCHEMBL10448783 0.90 KEAP1 (0.42) KCNN4TSHRCYP2D6LMNAHRH1
SCHEMBL11026818 0.90 KEAP1 (0.38) KCNN4TSHRCYP2D6LMNAHRH1
SCHEMBL3958141 0.90 KEAP1 (0.42) KCNN4TSHRCYP2D6LMNAHRH1
SCHEMBL11454390 0.90 KEAP1 (0.38) KCNN4TSHRCYP2D6LMNAHRH1
SCHEMBL11328095 0.84 KCNN4 (0.38) KCNN4TSHRCYP2D6LMNAHRH1
SCHEMBL18788591 0.82 CYP2D6 (0.41) KCNN4TSHRCYP2D6LMNAHRH1
SCHEMBL10907499 0.82 CYP2D6 (0.41) KCNN4TSHRCYP2D6LMNAHRH1

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
EP-1299342-B1 METHOD FOR PRODUCING 3,3-DIARYLPROPYLAMINES SANOL ARZNEI SCHWARZ GMBH (DE) 2007-05-02 EP claimed
US-6809225-B2 BY HYDROCARBONYLATION/HYDROFORMYLATION WITH SUBSEQUENT REDUCTIVE AMINATION SCHWARZ PHARMA AG (DE) 2004-10-26 US claimed
US-20040034080-A1 Method for producing 3,3-diarylpropylamines UCB PHARMA GMBH (DE) 2004-02-19 US claimed
US-4564711-A PLATIUM ACETYLACETONATE, 4B METAL HALIDE, BIDENTATE TERTIARY LIGAND SUN REFINING AND MARKETING COMPANY (US) 1986-01-14 US claimed
US-4542119-A PLATINUM ACETYLACETON, GROUP 4 HALIDE, ANTIMONY OR ARSENIC OR PHOSPHORUS CONTAINING LIGAND SUN TECH, INC. (US) 1985-09-17 US claimed
US-4306087-A RHODIUM-DIPHOSPHINO COMPLEX CATALYST KURARAY CO., LTD. (JP) 1981-12-15 US claimed
US-4237072-A HYDROGENATION IN THE PRESENCE OF A RHODIUM CHIRAL PHOSPHINE COMPLEX FORMED IN SITU RHONE-POULENC INDUSTRIES (FR) 1980-12-02 US claimed
EP-0000315-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE CITRONELLAL RHONE-POULENC INDUSTRIES (FR) 1980-09-17 EP claimed
US-4201714-A HYDROFORMYLATION CELANESE CORPORATION (US) 1980-05-06 US claimed
US-4201728-A RHODIUM METAL COMPLEX CATALYST CELANESE CORPORATION (US) 1980-05-06 US claimed
US-4139565-A STERIC RELATIONSHIPS CELANESE CORPORATION (US) 1979-02-13 US claimed
JP-56118034-A None JP disclosed
EP-3976625-B1 HIGH LINEAR SELECTIVITY LIGAND FOR ALLYL ALCOHOL HYDROFORMYLATION LYONDELL CHEMICAL TECH LP (US) 2023-08-02 EP disclosed
US-10807934-B1 High linear selectivity ligand for allyl alcohol hydroformylation LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2020-10-20 US disclosed
US-9950981-B2 Allyl alcohol hydroformylation process LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2018-04-24 US disclosed
US-4201714-A HYDROFORMYLATION CELANESE CORPORATION (US) 1980-05-06 US disclosed
US-4201714-A HYDROFORMYLATION CELANESE CORPORATION (US) 1980-05-06 US disclosed
US-4201728-A RHODIUM METAL COMPLEX CATALYST CELANESE CORPORATION (US) 1980-05-06 US disclosed
US-4169861-A STAVILIZED RHODIUM METAL BIDENTATE LIGAND AND MONODENTATE LIGAND CELANESE CORPORATION (US) 1979-10-02 US disclosed
US-4139565-A STERIC RELATIONSHIPS CELANESE CORPORATION (US) 1979-02-13 US 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 (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-10807934-B1 High linear selectivity ligand for allyl alcohol hydroformylation ADH1A, ADH1C, HRH4 KCNN4 2606/4885TSHR 1975/4885CYP2D6 1536/4885
US-20040034080-A1 Method for producing 3,3-diarylpropylamines HNMT, CYP1A1, HRH3 KCNN4 951/4885TSHR 2088/4885CYP2D6 60/4885

“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.