SCHEMBL3765859

SCHEMBL3765859

CC1(C)CC(=O)Sc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
NOTUM Q6P988 2/20 0.34
TYMS P04818 1/20 0.34
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.31
PGR P06401 1/20 0.31

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
SCHEMBL9023986 0.75 CMA1 (0.38) BRD4ALDH1A1HPGD
SCHEMBL8558911 0.75 CMA1 (0.38) MEN1GAAMAPTKMT2ABRD4
SCHEMBL2632864 0.69 RARA (0.39) NPSR1NOTUMALDH1A1HPGDALOX12
SCHEMBL9028813 0.68 RARB (0.38) KMT2A
SCHEMBL23085145 0.68 NOX1 (0.44) MEN1GAAMAPTKMT2ANPSR1
SCHEMBL798117 0.68 NOX1 (0.44) MEN1GAAMAPTKMT2ANPSR1
SCHEMBL30928004 0.68 NOX1 (0.44) MEN1GAAMAPTKMT2ANPSR1
SCHEMBL10452858 0.65 PDK2 (0.41) MEN1KMT2ANOTUMTYMSPDK2
SCHEMBL29581434 0.65 PGR (0.51) MEN1KMT2ANOTUMTYMSPGR
SCHEMBL182096 0.65 PGR (0.51) MEN1KMT2ANOTUMTYMSPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7847119-B2 Drug conjugates THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-12-07 US disclosed
US-20080139815-A1 DRUG CONJUGATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-06-12 US disclosed
US-7282590-B2 Selectively target tumor cells with highly potent cytotoxic drugs at a drug release rate that is effective for the destruction and/or inhibition of tumor cells THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2007-10-16 US disclosed
EP-1718335-A2 DRUG CONJUGATES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-11-08 EP disclosed
US-20050232928-A1 Drug conjugates NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-10-20 US disclosed
WO-2005079398-A2 DRUG CONJUGATES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2005-09-01 WO disclosed
EP-0155940-A1 BENZONORBORNENYL, BENZOPYRANYL AND BENZOTHIOPYRANYL RETINOIC ACID ANALOGUES SRI INTERNATIONAL (US) 1985-10-02 EP disclosed
WO-1985000806-A1 BENZONORBORNENYL, BENZOPYRANYL AND BENZOTHIOPYRANYL RETINOIC ACID ANALOGUES SRI INTERNATIONAL (US) 1985-02-28 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 (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-20050232928-A1 Drug conjugates RXRB, NR0B1, RXRA MEN1 3583/4885GAA 1638/4885MAPT 3998/4885
US-20080139815-A1 DRUG CONJUGATES RXRB, NR0B1, RXRA MEN1 3655/4885GAA 1606/4885MAPT 4002/4885

“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.