SCHEMBL3334473

SCHEMBL3334473

Ic1cccc2cc[nH]c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.58
KEAP1 Q14145 1/20 0.50
PDPK1 O15530 1/20 0.48
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44
AR P10275 1/20 0.44
TRPA1 O75762 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
ADK P55263 1/20 0.42
BACE1 P56817 1/20 0.42
BCHE P06276 4/20 0.41
TNF P01375 1/20 0.39
RIPK1 Q13546 1/20 0.39

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
SCHEMBL31492457 0.77 AHR (0.60) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL398827 0.73 AHR (0.56) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL3876150 0.73 AHR (0.56) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL443938 0.73 AHR (1.00) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL129649 0.73 AHR (0.56) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL317549 0.73 AHR (0.56) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL445281 0.73 AHR (0.56) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL276716 0.73 AHR (0.56) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL20159135 0.73 AHR (0.56) AHRKEAP1PDPK1NR3C1PGR
SCHEMBL446638 0.73 AHR (0.56) 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 113 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106117113-A Polysubstituted carbazole, derivant and synthetic method thereof 湘潭大学 2016-11-16 CN claimed
US-20250382646-A1 ENGINEERED ENZYMES AND METHODS FOR THE SYNTHESIS OF DIVERSE TYROSINE ANALOGS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2025-12-18 US disclosed
US-12421534-B2 Engineered enzymes and method for the synthesis of diverse tyrosine analogs CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2025-09-23 US disclosed
US-20240417764-A1 METHODS FOR THE PRODUCTION OF TRYPTOPHANS, TRYPTAMINES, INTERMEDIATES, SIDE PRODUCTS AND DERIVATIVES MIAMI UNIVERSITY 2024-12-19 US disclosed
EP-4426676-A2 METHODS FOR THE PRODUCTION OF TRYPTOPHANS, TRYPTAMINES, INTERMEDIATES, SIDE PRODUCTS AND DERIVATIVES MIAMI UNIVERSITY (US) 2024-09-11 EP disclosed
US-20240175002-A1 ENGINEERED SYNTHASE FOR PRODUCTION OF TRYPTOPHAN DERIVATIVES AND INTRANSIGENT SUBSTRATES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2024-05-30 US disclosed
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 CN disclosed
US-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 US disclosed
WO-2023081837-A9 METHODS FOR THE PRODUCTION OF TRYPTOPHANS, TRYPTAMINES, INTERMEDIATES, SIDE PRODUCTS AND DERIVATIVES MIAMI UNIVERSITY (US) 2024-03-14 WO disclosed
WO-2024026129-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
US-7585981-B2 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYON CO., LTD. (JP) 2009-09-08 US disclosed
EP-1327632-B1 METHOD FOR PRODUCING TRIMER OF INDOLE DERIVATIVE, AND TRIMER OF INDOLE DERIVATIVE AND LAMINATED STRUCTURE THEREOF MITSUBISHI RAYON CO (JP) 2008-12-03 EP disclosed
WO-2008110690-A2 NOVEL INDOLE DERIVATIVES, METHODS FOR PREPARING SAME, AND USE THEREOF PARTICULARLY AS ANTIBACTERIAL AGENTS UNIVERSITE JOSEPH FOURIER (FR) 2008-09-18 WO disclosed
CN-100334088-C Diaminopyrroloquinazoline compounds as protein tyrosine phosphatase inhibitors HOFFMANN LA ROCHE CO LTD (CH) 2007-08-29 CN disclosed
US-7115751-B2 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYON CO., LTD. (JP) 2006-10-03 US disclosed
US-20060211793-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYONE CO., LTD. (JP) 2006-09-21 US disclosed
CN-1791604-A Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN LA ROCHE (CH) 2006-06-21 CN disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 US disclosed
US-20040019097-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2004-01-29 US disclosed
EP-1327632-A1 METHOD FOR PRODUCING TRIMER OF INDOLE DERIVATIVE, AND TRIMER OF INDOLE DERIVATIVE AND LAMINATED STRUCTURE THEREOF Mitsubishi Rayon Co., Ltd. (JP) 2003-07-16 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 (4 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-20060211793-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof IDO1, IDO2, INMT AHR 60/4885KEAP1 898/4885PDPK1 2364/4885
US-20040019097-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof IDO1, IDO2, INMT AHR 51/4885KEAP1 1140/4885PDPK1 1952/4885
US-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS AHR 2218/4885KEAP1 182/4885PDPK1 459/4885
US-20240175002-A1 ENGINEERED SYNTHASE FOR PRODUCTION OF TRYPTOPHAN DERIVATIVES AND INTRANSIGENT SUBSTRATES WARS1, TPH1, TPH2 AHR 744/4885KEAP1 4355/4885PDPK1 1634/4885

“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.