SCHEMBL20495000

SCHEMBL20495000

CC(C)(C)c1ccc(-c2ccc3cc(C(=O)O)[nH]c3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 2/20 0.52
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPT P10636 1/20 0.49
DAO P14920 1/20 0.49
SRD5A2 P31213 1/20 0.49
DHODH Q02127 1/20 0.46
PIN1 Q13526 1/20 0.45
GPR35 Q9HC97 1/20 0.45
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 1/20 0.43
SMAD3 P84022 1/20 0.43
AKR1C2 P52895 1/20 0.43

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
SCHEMBL30071418 1.00 EIF4A3 (0.52) EIF4A3KDM4EHPGDHSD17B10MAPT
SCHEMBL29784199 0.88 EIF4A3 (0.58) EIF4A3KDM4EHPGDHSD17B10MAPT
SCHEMBL3597533 0.88 EIF4A3 (0.58) EIF4A3KDM4EHPGDHSD17B10MAPT
SCHEMBL30071268 0.85 ALDH1A1 (0.47) KDM4EHPGDMAPTNPC1RAB9A
SCHEMBL20494823 0.85 ALDH1A1 (0.47) KDM4EHPGDMAPTNPC1RAB9A
SCHEMBL7222628 0.83 PIN1 (0.61) EIF4A3KDM4EHPGDHSD17B10MAPT
SCHEMBL3389181 0.83 HSD17B10 (0.66) EIF4A3KDM4EHPGDHSD17B10MAPT
SCHEMBL20494223 0.81 SMAD3 (0.60) EIF4A3KDM4EHPGDHSD17B10MAPT
SCHEMBL30071340 0.81 SMAD3 (0.60) EIF4A3KDM4EHPGDHSD17B10MAPT
SCHEMBL5737506 0.81 ALOX15 (0.61) KDM4EHPGDHSD17B10MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993571-B2 Indole derivatives as efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-05-28 US disclosed
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
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 (2 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 EIF4A3 3915/4885KDM4E 4186/4885HPGD 120/4885
US-11993571-B2 Indole derivatives as efflux pump inhibitors ABCB11, ABCB1, ABCG2 EIF4A3 3915/4885KDM4E 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.