SCHEMBL4134649

SCHEMBL4134649

Cc1cc(CO)ccc1[NH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ S1PR1 P21453 4/20 0.37
▸ SHBG P04278 1/20 0.36
▸ PRSS1 P07477 2/20 0.35
▸ PRSS2 P07478 2/20 0.35
▸ PRSS3 P35030 2/20 0.35
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ S1PR4 O95977 1/20 0.34
▸ RECQL P46063 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA2 P00918 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
SCHEMBL4056677 0.82 HSD17B10 (0.43) ESR1ESR2HSD17B10S1PR1SHBG
SCHEMBL93048 0.78 S1PR1 (0.47) ESR1ESR2HSD17B10S1PR1SHBG
SCHEMBL4919837 0.76 ESR2 (0.43) ESR1ESR2HSD17B10S1PR1SHBG
SCHEMBL31256673 0.74 ESR1 (0.71) ESR1ESR2HSD17B10SHBGTTR
SCHEMBL8065632 0.74 SHBG (0.47) ESR1ESR2HSD17B10S1PR1SHBG
SCHEMBL3468736 0.74 ESR1 (0.71) ESR1ESR2HSD17B10SHBGTTR
SCHEMBL11981073 0.74 GABRA1 (0.42) ESR1ESR2HSD17B10
Phosphonic Acid SCHEMBL4098634 0.74 S1PR1 (0.41) ESR1ESR2HSD17B10S1PR1SHBG
SCHEMBL1362307 0.73 SKP2 (0.57) ESR1ESR2HSD17B10RECQLTSHR
SCHEMBL171208 0.73 ESR1 (0.40) ESR1ESR2HSD17B10S1PR1SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 — — US claimed
US-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 — — 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-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF C3AR1, C5AR1, C5AR2 ESR1 1188/4885ESR2 524/4885HSD17B10 3503/4885

“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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