SCHEMBL24936781

SCHEMBL24936781

CCC(C)c1cccc2nsnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.44
▸ TSHR P16473 2/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ HTT P42858 2/20 0.41
▸ POLB P06746 3/20 0.41
▸ TXNRD1 Q16881 1/20 0.40
▸ TXNRD3 Q86VQ6 1/20 0.40
▸ TXNRD2 Q9NNW7 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ NCOA2 Q15596 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39

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
SCHEMBL21142427 0.87 MAPT (0.43) HSD17B10KDM4EMAPTHIF1AALDH1A1
SCHEMBL10148193 0.82 MAPT (0.52) HSD17B10KDM4EMAPTHIF1AALDH1A1
SCHEMBL11985092 0.77 TSHR (0.38) TSHR
SCHEMBL19478610 0.76 MAPT (0.46) HSD17B10KDM4EMAPTHIF1AALDH1A1
SCHEMBL23870602 0.74 TSHR (0.44) HSD17B10KDM4EMAPTALDH1A1TSHR
SCHEMBL12386879 0.74 TSHR (0.48) HSD17B10KDM4EMAPTALDH1A1TSHR
SCHEMBL21895250 0.73 TSHR (0.39) HSD17B10KDM4EMAPTHIF1AALDH1A1
SCHEMBL19201190 0.72 TSHR (0.43) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL762893 0.71 KMT2A (0.56) HSD17B10KDM4EMAPTHIF1AALDH1A1
SCHEMBL21976700 0.70 CYP1A2 (0.69) HSD17B10MAPTALDH1A1CYP1A2CYP3A4

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-20230023961-A1 MITE INFESTATION TREATMENT VETO-PHARMA (FR) 2023-01-26 — — 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-20230023961-A1 MITE INFESTATION TREATMENT RHOA, NPEPPS, TUBA3E HSD17B10 2468/4885KDM4E 726/4885MAPT 659/4885

“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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