SCHEMBL7864768

SCHEMBL7864768

c1cc(C2CC2)c2[nH]ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.48
KEAP1 Q14145 1/20 0.43
PDPK1 O15530 1/20 0.42
PDK2 Q15119 7/20 0.41
PDK4 Q16654 5/20 0.41
TRPA1 O75762 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
ADK P55263 1/20 0.40
PDK1 Q15118 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
NR3C2 P08235 1/20 0.39
AR P10275 1/20 0.39
BACE1 P56817 1/20 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
SCHEMBL21149281 0.92 AHR (0.46) AHRKEAP1PDPK1PDK2PDK4
SCHEMBL4882951 0.89 HTR2C (0.49) AHRHTR2C
SCHEMBL31389946 0.82 AHR (0.43) AHRKEAP1PDPK1TRPA1CA1
SCHEMBL30437530 0.76 MEN1 (0.44) AHRKEAP1PDPK1BCHE
SCHEMBL5201407 0.73 IDO1 (0.54) BCHE
SCHEMBL14279773 0.72 CA12 (0.53) PDK2PDK4CA1CA4CA6
SCHEMBL15732963 0.72 HTR1D (0.34)
SCHEMBL2140206 0.70 KEAP1 (0.49) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL2140203 0.70 KEAP1 (0.49) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL10288460 0.70 KEAP1 (0.49) AHRKEAP1PDPK1NR3C1PGR

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12448368-B2 Indole compounds as androgen receptor modulators NIDO BIOSCIENCES, INC. (US) 2025-10-21 US disclosed
US-20250263760-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2025-08-21 US disclosed
US-12319946-B2 Methods for producing modified bacteria for production of nitroaromatics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2025-06-03 US disclosed
US-20250122176-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES INC (US) 2025-04-17 US disclosed
US-20250092021-A9 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES, INC. 2025-03-20 US disclosed
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 US disclosed
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 US disclosed
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 US disclosed
US-11879144-B2 Modified bacteria for production of nitroaromatics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-01-23 US disclosed
US-20230348439-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES INC (US) 2023-11-02 US disclosed
US-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-02-15 US disclosed
WO-2016134145-A9 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-16 WO disclosed
WO-2016134145-A9 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-16 WO disclosed
WO-2016134145-A2 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-08-25 WO disclosed
WO-2016134145-A2 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-08-25 WO disclosed
EP-1077213-A2 Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 2001-02-21 EP disclosed
US-6046215-A A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
US-5846982-A Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 1998-12-08 US disclosed
WO-1997047302-A1 INHIBITION OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1997-12-18 WO disclosed
EP-0812826-A1 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1997-12-17 EP 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 (5 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-20230348439-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, FSHR, NR5A1 AHR 159/4885KEAP1 2275/4885PDPK1 1334/4885
US-20250122176-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, FSHR, NR5A1 AHR 195/4885KEAP1 2522/4885PDPK1 1456/4885
US-20250092021-A9 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, FSHR, NR5A1 AHR 195/4885KEAP1 2522/4885PDPK1 1456/4885
US-12448368-B2 Indole compounds as androgen receptor modulators AR, FSHR, ADRB3 AHR 174/4885KEAP1 2654/4885PDPK1 1305/4885
US-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, POR, CYP4F3 AHR 842/4885KEAP1 2483/4885PDPK1 4439/4885

“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.