SCHEMBL30779751

SCHEMBL30779751

c1ccc2c3c(ccc2c1)Cc1ccc2ccccc2c1O3

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
CYP2A6 P11509 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPRT1 P00492 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
ANPEP P15144 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 3/20 0.37

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
SCHEMBL10378225 1.00 HSD17B10 (0.46) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL303160 0.87 MAOA (0.55) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL30286854 0.84 CA12 (0.49) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL31037886 0.83 HSD17B10 (0.44) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL28407698 0.82 MAPT (0.44) ALDH1A1KDM4EHPGDNFKB1NFKB2
SCHEMBL10619819 0.82 PTPN22 (0.47) HSD17B10ALDH1A1TDP1KDM4ECYP1A2
SCHEMBL10378227 0.81 KDM4E (0.54) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL28394024 0.80 CYP2A6 (0.39) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL17065914 0.79 L3MBTL1 (0.41) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL28405398 0.79 NFKB1 (0.40) HSD17B10CYP2A6KDM4ECYP1A2GLA

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-11897984-B2 Tagging agents, anti-scalant polymer compositions, and methods KEMIRA OYJ (FI) 2024-02-13 US claimed

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-11897984-B2 Tagging agents, anti-scalant polymer compositions, and methods CUTA, DDOST, ALG8 HSD17B10 4049/4885ALDH1A1 3062/4885TSHR 4793/4885

“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.