SCHEMBL3767440

SCHEMBL3767440

C1CCC2CCC3CCCCC3CCC2C1

nearest known ligand 0.89

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.89
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
SLC18A3 Q16572 2/20 0.33
HSD17B10 Q99714 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
ALOX5 P09917 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
SCHEMBL2047082 1.00
SCHEMBL18019251 1.00
SCHEMBL29759005 1.00 ALDH1A1 (0.89) ALDH1A1THRBMEN1KMT2ATSHR
SCHEMBL19685101 1.00
SCHEMBL20193393 1.00 ALDH1A1 (0.89) ALDH1A1THRBMEN1KMT2ATSHR
SCHEMBL18897676 1.00 ALDH1A1 (0.89) ALDH1A1THRBMEN1KMT2ATSHR
SCHEMBL27743 1.00
SCHEMBL19072068 1.00 ALDH1A1 (0.89) ALDH1A1THRBMEN1KMT2ATSHR
SCHEMBL21841873 1.00 ALDH1A1 (0.89) ALDH1A1THRBMEN1KMT2ATSHR
SCHEMBL16878797 0.95 ALDH1A1 (0.80) ALDH1A1THRBMEN1KMT2ATSHR

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 399/4885THRB 468/4885MEN1 3583/4885
US-20080139815-A1 DRUG CONJUGATES RXRB, NR0B1, RXRA ALDH1A1 414/4885THRB 477/4885MEN1 3655/4885

“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.