SCHEMBL19833112

SCHEMBL19833112

CCCC(C)(CC)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL19832962 0.80 LMNA (0.35) MEN1KMT2ATDP1ESR1ESR2
SCHEMBL19832839 0.76 TDP1 (0.47) MEN1KMT2ATDP1ESR1CYP3A4
SCHEMBL19833124 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL23119099 0.72 TP53 (0.35) ALDH1A1MEN1KMT2ATDP1ESR1
SCHEMBL22898346 0.71 GABRA2 (0.42) —
SCHEMBL12054100 0.69 ESR1 (0.46) MEN1KMT2ATDP1ESR1ESR2
SCHEMBL20459109 0.69 TSHR (0.45) KMT2AESR1ESR2CYP3A4TSHR
SCHEMBL19483142 0.68 SCN5A (0.44) KMT2AESR1ESR2
SCHEMBL12251273 0.68 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ATDP1ESR1
SCHEMBL14734279 0.67 ESR1 (0.31) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2018-02-01 — — 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-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST PPARG, PPARA, DGAT1 ALDH1A1 585/4885MEN1 4649/4885KMT2A 1750/4885

“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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