SCHEMBL3769766

SCHEMBL3769766

C1=C\c2ccccc2-c2ccccc2-c2ccccc2/1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
LMNA P02545 5/20 0.55
MAPT P10636 4/20 0.55
ALDH1A1 P00352 3/20 0.55
HSD17B10 Q99714 3/20 0.55
KDM4E B2RXH2 2/20 0.55
BCHE P06276 2/20 0.55
POLB P06746 2/20 0.55
PTPRC P08575 2/20 0.55
THRB P10828 2/20 0.55
CES1 P23141 2/20 0.55
RECQL P46063 2/20 0.55
IDO1 P14902 2/20 0.55
ALOX15 P16050 2/20 0.55
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55
PTPN1 P18031 1/20 0.55
ACHE P22303 1/20 0.55
PTPN22 Q9Y2R2 1/20 0.55

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
SCHEMBL19136014 0.86 ALDH1A1 (0.42) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL568780 0.83 MEN1 (0.46) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL504078 0.83 MEN1 (0.46) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL18426 0.81 ALDH1A1 (0.44) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL5921807 0.80 LMNA (0.50) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL9617411 0.80 LMNA (0.50) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL9985289 0.80 MEN1 (0.44) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL9985286 0.80 MEN1 (0.44) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL27485220 0.79 ALDH1A1 (0.42) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL27519715 0.79 ALDH1A1 (0.42) MEN1KMT2ALMNAMAPTALDH1A1

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 4 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
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

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 3583/4885KMT2A 600/4885LMNA 1830/4885
US-20080139815-A1 DRUG CONJUGATES RXRB, NR0B1, RXRA MEN1 3655/4885KMT2A 584/4885LMNA 1848/4885

“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.