SCHEMBL20494813

SCHEMBL20494813

O=C(O)c1cc2ccc(C3CC3)cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ DAO P14920 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ SRD5A2 P31213 1/20 0.53
▸ EIF4A3 P38919 2/20 0.53
▸ MMP9 P14780 3/20 0.50
▸ GPR35 Q9HC97 1/20 0.49
▸ DGAT1 O75907 1/20 0.46
▸ SMAD3 P84022 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ F7 P08709 1/20 0.45
▸ F3 P13726 1/20 0.45
▸ PIN1 Q13526 1/20 0.45
▸ PDPK1 O15530 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ APEX1 P27695 1/20 0.45

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
SCHEMBL18127380 0.87 SMAD3 (0.58) HSD17B10KDM4EHPGDDAOMAPT
SCHEMBL17226839 0.82 MMP9 (0.47) KDM4EMMP9DGAT1LMNAFGFR1
SCHEMBL31273139 0.80 KDM4E (0.46) HSD17B10KDM4EHPGDMMP9DGAT1
SCHEMBL28011584 0.80 MMP9 (0.45) EIF4A3MMP9DGAT1FGFR1FGFR2
SCHEMBL15642666 0.79 SMAD3 (0.53) HSD17B10KDM4EHPGDDAOMAPT
SCHEMBL21354823 0.79 ALOX15 (0.64) HSD17B10KDM4EHPGDMAPTMMP9
SCHEMBL25044341 0.78 SMAD3 (0.51) HSD17B10KDM4EHPGDDAOMAPT
SCHEMBL15642554 0.76 HRH4 (0.54) HSD17B10KDM4EHPGDSMAD3ALDH1A1
SCHEMBL31423285 0.75 ACMSD (0.52) HSD17B10KDM4EHPGDMMP9ALDH1A1
SCHEMBL31273616 0.75 ACMSD (0.49) HSD17B10KDM4EHPGDMMP9ALDH1A1

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
CN-110770224-B Indole derivatives as efflux pump inhibitors 罗格斯新泽西州立大学 2022-11-18 — — CN disclosed
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2021-04-01 — — US disclosed
CN-110770224-A Indole derivatives as efflux pump inhibitors 罗格斯新泽西州立大学 2020-02-07 — — CN disclosed
WO-2018165611-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-09-13 — — WO 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-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ABCG2 HSD17B10 709/4885KDM4E 4186/4885HPGD 120/4885

“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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