SCHEMBL3769997

SCHEMBL3769997

CCC[CH]C(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.32
POLB P06746 1/20 0.31
THRB P10828 1/20 0.30
ESR1 P03372 1/20 0.30

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
SCHEMBL4643660 0.74 KMT2A (0.34) POLBTHRB
SCHEMBL4644186 0.74 HSD17B10 (0.40) GAAPOLBTHRB
SCHEMBL4643685 0.72 ERN1 (0.42)
SCHEMBL4644487 0.72 POLB (0.36) GAAPOLBTHRB
SCHEMBL6247098 0.72 ZDHHC2 (0.48) THRB
SCHEMBL225748 0.71 THRB (0.40) THRB
SCHEMBL4642186 0.71 THRB (0.45) GAATHRB
SCHEMBL4643737 0.71 MEN1 (0.44) THRBESR1
SCHEMBL4645333 0.71 THRB (0.45) THRBESR1
SCHEMBL128030 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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

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 GAA 1638/4885POLB 1191/4885THRB 468/4885
US-20080139815-A1 DRUG CONJUGATES RXRB, NR0B1, RXRA GAA 1606/4885POLB 1155/4885THRB 477/4885

“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.