SCHEMBL11418865

SCHEMBL11418865

CCc1cc(CC)cc(NC(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.35
▸ ALOX15 P16050 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ THRB P10828 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ ALOX12 P18054 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ELANE P08246 2/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ CASP1 P29466 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ PTGS2 P35354 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
SCHEMBL11408555 0.87 RAPGEF4 (0.39) TDP1ALDH1A1ALOX15HSD17B10L3MBTL1
SCHEMBL21779630 0.79 TDP1 (0.39) TDP1ALDH1A1ALOX15HSD17B10L3MBTL1
SCHEMBL8359921 0.79 TDP1 (0.50) TDP1ALDH1A1ALOX15HSD17B10L3MBTL1
SCHEMBL17828144 0.77 GPR55 (0.38) TDP1ALDH1A1ELANE
SCHEMBL7767529 0.76 TDP1 (0.52) TDP1ALDH1A1ALOX15HSD17B10L3MBTL1
SCHEMBL10024341 0.76 TDP1 (0.55) TDP1ALDH1A1ALOX15HSD17B10L3MBTL1
SCHEMBL11444008 0.74 TDP1 (0.35) TDP1ALDH1A1ALOX15HSD17B10L3MBTL1
SCHEMBL3190908 0.74 RAPGEF4 (0.39) ALDH1A1ALOX15HSD17B10L3MBTL1ALOX12
SCHEMBL11409853 0.73 TDP1 (0.38) TDP1ALDH1A1ALOX15HSD17B10L3MBTL1
SCHEMBL28806252 0.72 PTGS2 (0.48) TDP1ALDH1A1ALOX15HSD17B10L3MBTL1

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
EP-3245213-B1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING BRISTOL MYERS SQUIBB CO (US) 2020-03-04 — — EP disclosed
US-9527871-B2 Benzodiazepine dimers, conjugates thereof, and methods of making and using BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 — — US disclosed
US-20160200742-A1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING BRISTOL-MYERS SQUIBB COMPANY 2016-07-14 — — US disclosed
US-4196142-A 2-Chloro-n-isopropyl-3,5-disubstituted or 3,4,5-trisubstitutes lower alkyl acetanilides as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1980-04-01 — — 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 (1 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-20160200742-A1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA3, GABRA2 TDP1 2786/4885ALDH1A1 164/4885ALOX15 3715/4885

“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.

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