SCHEMBL3284871

SCHEMBL3284871

O=[C]CCCc1ccco1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58
TDP1 Q9NUW8 3/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
CHRM2 P08172 1/20 0.39
EPHX2 P34913 3/20 0.39
ALOX5 P09917 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
HTR2B P41595 1/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 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
SCHEMBL327550 0.88
SCHEMBL27964995 0.82 ALDH1A1 (0.55) ALDH1A1CYP3A4ALOX15TDP1USP2
SCHEMBL7094868 0.80 ALDH1A1 (0.67) ALDH1A1CYP3A4ALOX15TDP1USP2
SCHEMBL11060991 0.80 ALDH1A1 (0.61) ALDH1A1CYP3A4ALOX15TDP1USP2
SCHEMBL20878209 0.80 ALDH1A1 (0.86) ALDH1A1CYP3A4ALOX15TDP1USP2
SCHEMBL7093157 0.78 ALDH1A1 (0.70) ALDH1A1CYP3A4ALOX15TDP1USP2
SCHEMBL919385 0.77
SCHEMBL5726618 0.77
SCHEMBL5547775 0.76 ALDH1A1 (0.49) ALDH1A1CYP3A4ALOX15TDP1USP2
SCHEMBL24478868 0.75 ALDH1A1 (0.56) ALDH1A1CYP3A4ALOX15TDP1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700658-B2 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity PFIZER INC. (US) 2010-04-20 US disclosed
US-20090156685-A1 (R)-CHIRAL HALOGENATED SUBSTITUTED FUSED HETEROCYCLIC AMINO COMPOUNDS USEFUL FOR INHIBITING CHOLESTEROL ESTER TRANSFER PROTEIN ACTIVITY PFIZER INC 2009-06-18 US disclosed
EP-1115693-B9 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO CO (US) 2007-12-19 EP disclosed
US-20070219274-A1 (R)-Chiral Halogenated Substituted Fused Heterocyclic Amino Compounds Useful for Inhibiting Cholesterol Ester Transfer Protein Activity PFIZER INC 2007-09-20 US disclosed
US-7253211-B2 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity PFIZER INC. (US) 2007-08-07 US disclosed
EP-1115693-B1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO CO (US) 2007-05-02 EP disclosed
US-7122536-B2 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity PFIZER INC. (US) 2006-10-17 US disclosed
US-20060229304-A1 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity PFIZER INC 2006-10-12 US disclosed
US-7119094-B1 Substituted polycyclic aryl and heteroarpyl pyrazinones useful for selective inhibition of the coagulation cascade WARNER-LAMBERT COMPANY (US) 2006-10-10 US disclosed
US-7015230-B1 Substituted polycyclic aryl and heteroaryl uracils useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-03-21 US disclosed
WO-2001005748-A1 OLIGOMERIC AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS MONSANTO COMPANY (US) 2001-01-25 WO disclosed
WO-2000069832-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRYMIDINONES USEFUL AS ANTICOAGULANTS PHARMACIA CORPORATION (US) 2000-11-23 WO disclosed
WO-2000069833-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS AS ANTICOAGULATIVE AGENTS PHARMACIA CORPORATION (US) 2000-11-23 WO disclosed
WO-2000069826-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2000-11-23 WO disclosed
WO-2000069834-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2000-11-23 WO disclosed
WO-2000063195-A1 NOVEL HETEROCYCLIC AMINO CARBONYL DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 2000-10-26 WO disclosed
WO-2000044731-A1 NOVEL HYDROXYAMIDINO CARBOXYLATE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 2000-08-03 WO disclosed
WO-2000018723-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO disclosed
WO-2000018724-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(n+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO disclosed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO 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-20070219274-A1 (R)-Chiral Halogenated Substituted Fused Heterocyclic Amino Compounds Useful for Inhibiting Cholesterol Ester Transfer Protein Activity CETP, DBI, MTTP ALDH1A1 3497/4885CYP3A4 1489/4885ALOX15 2746/4885
US-20060229304-A1 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity CETP, DBI, MTTP ALDH1A1 3497/4885CYP3A4 1489/4885ALOX15 2746/4885
US-20090156685-A1 (R)-CHIRAL HALOGENATED SUBSTITUTED FUSED HETEROCYCLIC AMINO COMPOUNDS USEFUL FOR INHIBITING CHOLESTEROL ESTER TRANSFER PROTEIN ACTIVITY CETP, DBI, MTTP ALDH1A1 3497/4885CYP3A4 1489/4885ALOX15 2746/4885

“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.