SCHEMBL3765866

SCHEMBL3765866

C1CCC2CC3C(CCC4CCCCC43)CC2C1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
HSD11B1 P28845 1/20 0.33
EPAS1 Q99814 1/20 0.32

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
SCHEMBL5067660 0.94 ALDH1A1 (0.41) ALDH1A1HSD11B1EPAS1
SCHEMBL17795909 0.91 ALDH1A1 (0.44) ALDH1A1HSD11B1EPAS1
SCHEMBL2990890 0.89 ALDH1A1 (0.44) ALDH1A1HSD11B1EPAS1
SCHEMBL3971196 0.88 ALDH1A1 (0.34) ALDH1A1EPAS1
SCHEMBL27327414 0.88 ALDH1A1 (0.41) ALDH1A1HSD11B1EPAS1
SCHEMBL28898566 0.88 ALDH1A1 (0.47) ALDH1A1HSD11B1
SCHEMBL31273013 0.85 ALDH1A1 (0.35) ALDH1A1EPAS1
SCHEMBL6689602 0.85 ALDH1A1 (0.44) ALDH1A1HSD11B1EPAS1
SCHEMBL1154960 0.85 ALDH1A1 (0.44) ALDH1A1HSD11B1EPAS1
SCHEMBL212308 0.85 ALDH1A1 (0.50) ALDH1A1HSD11B1EPAS1

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 6 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

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 ALDH1A1 399/4885HSD11B1 149/4885EPAS1 3419/4885
US-20080139815-A1 DRUG CONJUGATES RXRB, NR0B1, RXRA ALDH1A1 414/4885HSD11B1 150/4885EPAS1 3430/4885

“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.