SCHEMBL5598415

SCHEMBL5598415

BrCc1cccc2ccc3cccc(CBr)c3c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 4/20 0.50
TSHR P16473 4/20 0.50
CYP1A2 P05177 4/20 0.50
HPGD P15428 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP1A1 P04798 2/20 0.50
CYP1B1 Q16678 2/20 0.50
PPARG P37231 1/20 0.40
THRB P10828 1/20 0.40
ELANE P08246 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTR2A P28223 2/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GABRA1 P14867 1/20 0.33

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
SCHEMBL28190 0.92 ALDH1A1 (0.45) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL30598018 0.92 ALDH1A1 (0.45) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL23043517 0.83 TSHR (0.38) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL29681001 0.83 TSHR (0.38) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL3283526 0.81 ELANE (0.41) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL1538927 0.81 ALDH1A1 (0.36) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL13745202 0.81 TSHR (0.36) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL953211 0.81 GABRA1 (0.48) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL9466042 0.80 CYP1A2 (0.54) ALDH1A1HSD17B10TSHRCYP1A2HPGD
SCHEMBL10582719 0.80 CYP1A2 (0.44) ALDH1A1HSD17B10TSHRCYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189864-B2 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-03-13 US disclosed
US-6974876-B2 Method for preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 2005-12-13 US disclosed
US-20050171366-A1 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 2005-08-04 US disclosed
US-20030225285-A1 Method for preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. 2003-12-04 US disclosed
EP-0970066-B1 Preparation of aminoepoxides from aminoaldehydes and an in situ formed halomethyl organometallic reagent SEARLE & CO (US) 2003-09-17 EP disclosed
US-6570027-B2 Forming a diastereoselective epoxide from a chiral alpha-amino aldehyde G. D. SEARLE & CO. 2003-05-27 US disclosed
US-20020161234-A1 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 2002-10-31 US disclosed
US-6388094-B1 FORMING AN AMINOEPOXIDE G.D. SEARLE & CO. 2002-05-14 US disclosed
EP-0855388-B1 Method for making intermediates useful in synthesis of retroviral protease inhibitors SEARLE & CO (US) 2002-03-06 EP disclosed
EP-0872903-B1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder SHINETSU CHEMICAL CO (JP) 2001-10-04 EP disclosed
WO-1998029401-A1 AMINOEPOXIDES FROM AMINOALDEHYDES AND IN-SITU FORMED HALOMETHYL ORGANOMETALLIC REAGENT G.D. SEARLE & CO. (US) 1998-07-09 WO disclosed
US-5648511-A Method for making intermediates useful in the synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 1997-07-15 US disclosed
US-5583238-A Method for making intermediates useful in synthesis of retroviral protease inhibitors G. D. SEARLE & CO. (US) 1996-12-10 US disclosed
EP-0641333-B1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1996-08-14 EP disclosed
WO-1995014653-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-01 WO disclosed
EP-0641333-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS. SEARLE & CO (US) 1995-03-08 EP disclosed
WO-1993023388-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1993-11-25 WO disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 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-20020161234-A1 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors PREP, DNPEP, ANPEP ALDH1A1 152/4885HSD17B10 662/4885TSHR 4807/4885
US-20030225285-A1 Method for preparing intermediates useful in synthesis of retroviral protease inhibitors PREP, DNPEP, ANPEP ALDH1A1 150/4885HSD17B10 651/4885TSHR 4812/4885
US-20050171366-A1 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors PREP, DNPEP, ANPEP ALDH1A1 152/4885HSD17B10 662/4885TSHR 4807/4885

“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.