SCHEMBL4201730

SCHEMBL4201730

CCOC(=O)c1[nH]c(C)c(CC)c1CC

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
HPGD P15428 3/20 0.58
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RAB9A P51151 2/20 0.51
MAPT P10636 1/20 0.51
STAT1 P42224 1/20 0.51
POLB P06746 1/20 0.51
ATM Q13315 1/20 0.51
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 2/20 0.49
HTT P42858 1/20 0.49
BRD4 O60885 1/20 0.46

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
SCHEMBL11644037 0.87 CYP1A2 (0.76) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL4205954 0.87 CYP1A2 (0.76) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL8654844 0.85 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL11648083 0.83 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL5858401 0.83 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL8204552 0.82 BRD4 (0.62) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL8654140 0.81 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL2565795 0.80 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL8720089 0.80 RAB9A (0.82) ALDH1A1MAPK1NPSR1SMN1; SMN2RAB9A
SCHEMBL9423348 0.79 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6106599-A Inks XEROX CORPORATION (US) 2000-08-22 US claimed
WO-2020210761-A1 BORON-CONTAINING CYCLIC EMISSIVE COMPOUNDS AND COLOR CONVERSION FILM CONTAINING THE SAME NITTO DENKO CORPORATION (JP) 2020-10-15 WO disclosed
US-7538231-B2 Tyrosine kinase inhibitors MERCK & CO, INC. (US) 2009-05-26 US disclosed
EP-1651209-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2009-03-04 EP disclosed
US-20060276514-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2006-12-07 US disclosed
EP-1651209-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2006-05-03 EP disclosed
US-6878786-B2 Process for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2005-04-12 US disclosed
WO-2005009373-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2005-02-03 WO disclosed
US-6841501-B2 Catalyst system for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2005-01-11 US disclosed
EP-1173445-B1 ORGANOMETALLIC COMPOUND USEFUL AS COCATALYST FOR POLYMERIZING OLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-06-09 EP disclosed
US-20020038036-A1 \"Catalyst system for the polymerization of olefins\ EQUISTAR CHEMICALS, LP 2002-03-28 US disclosed
EP-1173445-A1 ORGANOMETALLIC COMPOUND USEFUL AS COCATALYST FOR POLYMERIZING OLEFINS Basell Technology Company B.V. (NL) 2002-01-23 EP disclosed
WO-2001062764-A1 ORGANOMETALLIC COMPOUND USEFUL AS COCATALYST FOR POLYMERIZING OLEFINS BASELL TECHNOLOGY COMPANY B.V. (NL) 2001-08-30 WO disclosed
US-6106599-A Inks XEROX CORPORATION (US) 2000-08-22 US disclosed
US-5672717-A ANTITUMOR AGENTS TREATING CANCER IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1997-09-30 US disclosed
US-5554764-A DIPYRROMETHANES ARE CLAIMED. IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1996-09-10 US disclosed
US-5464741-A Palladium (II) octaethylporphine alpha-isothiocyanate as a phosphorescent label for immunoassays HENWELL, INC. (US) 1995-11-07 US disclosed
US-5446166-A Reacting isocyanoacetate with prophosphatrane and acyl halide or acid anhydride IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1995-08-29 US disclosed
US-5367084-A Preparation of pyrrol and oxazole compounds: formation of porphyrins and c-acyl-α-amino acid esters therefrom IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1994-11-22 US disclosed
US-4070366-A RING ALKYLATION OF SUBSTITUTED PYRROLES, ONE STEP CANADIAN PATENTS & DEVELOPMENT LIMITED (US) 1978-01-24 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 (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-20060276514-A1 Tyrosine kinase inhibitors ABL1, RET, ERBB2 CYP1A2 2963/4885CYP2C9 2609/4885CYP2C19 2265/4885

“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.