SCHEMBL444450

SCHEMBL444450

Fc1ccc2cc[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 6/20 1.00
GPR84 Q9NQS5 1/20 0.58
CMA1 P23946 1/20 0.56
TYR P14679 1/20 0.56
ESR1 P03372 2/20 0.51
CYP2A6 P11509 3/20 0.50
ENPP2 Q13822 2/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TRPA1 O75762 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46

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
SCHEMBL18805062 1.00 AHR (1.00) AHRGPR84CMA1TYRESR1
SCHEMBL29361924 1.00 AHR (1.00) AHRGPR84CMA1TYRESR1
Methane SCHEMBL28804924 0.98 AHR (0.95) AHRGPR84CMA1TYRESR1
Acetic Acid SCHEMBL9119235 0.87 AHR (0.75) AHRGPR84CMA1TYRESR1
SCHEMBL147946 0.83 AHR (0.70) AHRGPR84CMA1TYRESR1
SCHEMBL8176338 0.82 AHR (0.68) AHRGPR84CMA1TYRESR1
SCHEMBL228554 0.81 AHR (1.00) AHRGPR84CYP2A6TRPA1CA1
SCHEMBL18805065 0.81 AHR (1.00) AHRGPR84CYP2A6TRPA1CA1
SCHEMBL30346757 0.80 AHR (0.67) AHRGPR84CMA1TYRESR1
SCHEMBL8185932 0.80 AHR (0.70) AHRGPR84CMA1TYRESR1

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 1551 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120082575-A Tryptophan synthase trpB modified gene and preparation method of 6-fluoro-L-tryptophan 宿州学院 2025-06-03 CN claimed
US-12310955-B2 Cyclic amide compounds for rabies treatment and method thereof IRIMAJIRI THERAPEUTICS INC. (JP) 2025-05-27 US claimed
CN-119857098-A Application of indole triazole derivative in preparation of drug-resistant candida albicans drug 云南中医药大学 2025-04-22 CN claimed
EP-4526426-A2 METHODS FOR PRODUCING MONOTERPENE INDOLE ALKALOIDS Danmarks Tekniske Universitet (DK) 2025-03-26 EP claimed
CN-118702681-A 3- (6-Fluoroindole) quinoxalinone compound and preparation method and application thereof 金华职业技术学院 2024-09-27 CN claimed
CN-118125960-A Bisindole 3-ketone compound, application and preparation method thereof 云南农业大学 2024-06-04 CN claimed
CN-118063373-A 3,3' -Bisindole compound and application and preparation method thereof 云南农业大学 2024-05-24 CN claimed
WO-2023222879-A2 METHODS FOR PRODUCING MONOTERPENE INDOLE ALKALOIDS DANMARKS TEKNISKE UNIVERSITET (DK) 2023-11-23 WO claimed
CN-114394963-B Isoxazoline compound, preparation method and application 西北农林科技大学 2023-05-23 CN claimed
CN-113943244-B Sulfur-containing gamma, gamma-diindolylbutyramide compounds prepared by difunctional reactions 温州大学 2023-05-23 CN claimed
CN-102656146-A Process for the manufacture of pharmaceutically active agents LUNDBECK & CO AS H 2012-09-05 CN claimed
WO-2011076212-A2 PROCESSES FOR THE MANUFACTURE OF A PHARMACEUTICALLY ACTIVE AGENT H. LUNDBECK A/S (DK) 2011-06-30 WO claimed
US-20110152539-A1 PROCESSES FOR THE MANUFACTURE OF A PHARMACEUTICALLY ACTIVE AGENT H. LUNDBECK A/S (DK) 2011-06-23 US claimed
CN-101250154-B Industrial production method of 6-fluoroindo TAIZHOU ZHIQING CHEMICAL CO LTD 2011-05-04 CN claimed
US-7847152-B2 Use of tryptophan indole and anthranilate analogs as plant transformation selection agents THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-12-07 US claimed
CN-101824027-A Polysubstituted tetrahydroquinoline derivative with optical activity and synthetic method and use thereof UNIV BEIJING 2010-09-08 CN claimed
CN-101531624-A Synthetic method of 6-fluoroindole-3-acetonitrile DALIAN KAIFEI FINE CHEMICALS C 2009-09-16 CN claimed
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 claimed
CN-101250154-A Industrial production method of 6-fluoroindo TAIZHOU ZHIQING CHEMICAL CO LT (CN) 2008-08-27 CN claimed
US-20080028488-A1 USE OF TRYPTOPHAN INDOLE AND ANTHRANILATE ANALOGS AS PLANT TRANSFORMATION SELECTION AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-01-31 US claimed

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-20110152539-A1 PROCESSES FOR THE MANUFACTURE OF A PHARMACEUTICALLY ACTIVE AGENT CEL, DCPS, HPSE AHR 3756/4885GPR84 3883/4885CMA1 154/4885
US-12310955-B2 Cyclic amide compounds for rabies treatment and method thereof F12, RXFP3, AVPR1B AHR 3925/4885GPR84 2681/4885CMA1 1172/4885

“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.