SCHEMBL1900408

SCHEMBL1900408

OC1CCCC12CCCC2O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.32
AR P10275 1/20 0.32
ESR2 Q92731 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL1907121 1.00 ESR1 (0.32) ESR1ARESR2TSHR
SCHEMBL1903918 1.00 ESR1 (0.32) ESR1ARESR2TSHR
SCHEMBL1903171 1.00 ESR1 (0.32) ESR1ARESR2TSHR
SCHEMBL1903170 1.00 ESR1 (0.32) ESR1ARESR2TSHR
SCHEMBL12564579 1.00 ESR1 (0.32) ESR1ARESR2TSHR
SCHEMBL12605623 1.00 ESR1 (0.32) ESR1ARESR2TSHR
SCHEMBL1907119 1.00 ESR1 (0.32) ESR1ARESR2TSHR
SCHEMBL21001033 0.73 CA1 (0.33)
SCHEMBL21001228 0.72
SCHEMBL997596 0.71

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304617-A Synthesis method of oxaspiro diphenol with large steric hindrance and diphosphine ligand thereof 惠州凯特立斯科技有限公司 2022-11-08 CN disclosed
CN-115246767-A Synthesis method of spiro diphenol with large steric hindrance and diphosphonite compound thereof 惠州凯特立斯科技有限公司 2022-10-28 CN disclosed
US-20150274705-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-10-01 US disclosed
US-8501977-B2 Platinum complex and pharmaceutical composition containing the same UNITECH CO., LTD. (JP) 2013-08-06 US disclosed
US-8501977-B2 Platinum complex and pharmaceutical composition containing the same UNITECH CO., LTD. (JP) 2013-08-06 US disclosed
US-8501977-B2 Platinum complex and pharmaceutical composition containing the same UNITECH CO., LTD. (JP) 2013-08-06 US disclosed
US-20110152555-A1 PLATINUM COMPLEX AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME UNITECH CO., LTD. (JP) 2011-06-23 US disclosed
US-20110152555-A1 PLATINUM COMPLEX AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME UNITECH CO., LTD. (JP) 2011-06-23 US disclosed
US-20110152555-A1 PLATINUM COMPLEX AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME UNITECH CO., LTD. (JP) 2011-06-23 US disclosed
EP-2325163-A1 PLATINUM COMPLEX AND MEDICAL COMPOUND CONTAINING SAME Unitech Co., Ltd (JP) 2011-05-25 EP disclosed
EP-2325163-A1 PLATINUM COMPLEX AND MEDICAL COMPOUND CONTAINING SAME Unitech Co., Ltd (JP) 2011-05-25 EP disclosed
US-7732365-B2 Enantioselective amination and etherification YALE UNIVERSITY (US) 2010-06-08 US disclosed
US-7732365-B2 Enantioselective amination and etherification YALE UNIVERSITY (US) 2010-06-08 US disclosed
US-20070259774-A1 Enantioselective Phosphoramidite Compounds and Catalysts YALE UNIVERSITY (US) 2007-11-08 US disclosed
US-20070259774-A1 Enantioselective Phosphoramidite Compounds and Catalysts YALE UNIVERSITY (US) 2007-11-08 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 (3 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-20150274705-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE PRKACA, PACSIN2, PRKDC ESR1 4698/4885AR 3926/4885ESR2 3901/4885
US-20110152555-A1 PLATINUM COMPLEX AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME PKD1, XPA, CCDC47 ESR1 3744/4885AR 628/4885ESR2 2608/4885
US-20070259774-A1 Enantioselective Phosphoramidite Compounds and Catalysts AKR1C3, PCNA, AKR1C4 ESR1 857/4885AR 150/4885ESR2 950/4885

“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.