SCHEMBL29990254

SCHEMBL29990254

Clc1ccc2cc[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 1.00
CMA1 P23946 1/20 1.00
F7 P08709 1/20 0.68
LTA4H P09960 1/20 0.68
F3 P13726 1/20 0.68
NR4A2 P43354 1/20 0.68
TYR P14679 1/20 0.56
ALDH1A1 P00352 2/20 0.55
ESR1 P03372 1/20 0.51
ENPP2 Q13822 2/20 0.50
CSNK2A1 P68400 1/20 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
CYP2A6 P11509 1/20 0.50
CHEK1 O14757 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL75475 1.00 AHR (1.00) AHRCMA1F7LTA4HF3
Methane SCHEMBL27929624 0.98 AHR (0.95) AHRCMA1F7LTA4HF3
SCHEMBL27701627 0.98 AHR (0.95) AHRCMA1F7LTA4HF3
Cyanide SCHEMBL31107479 0.94 AHR (0.88) AHRCMA1F7LTA4HF3
SCHEMBL6345528 0.92 AHR (0.84) AHRCMA1F7LTA4HF3
Indole SCHEMBL28309073 0.90 AHR (0.81) AHRCMA1F7LTA4HF3
Formic Acid SCHEMBL28403702 0.88 AHR (0.78) AHRCMA1F7LTA4HF3
Biphenyl SCHEMBL27962709 0.88 AHR (0.78) AHRCMA1F7LTA4HF3
Phosphoric Acid SCHEMBL27611942 0.88 AHR (0.78) AHRCMA1F7LTA4HF3
Acetic Acid SCHEMBL9120361 0.87 AHR (0.75) AHRCMA1F7LTA4HF3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PEPTIDREAM INC (JP) 2026-01-15 US disclosed
US-20250327074-A1 THE RARE CODON RECODING PLATFORM FOR NONCANONICAL AMINO ACIDS INCORPORATION IN MAMMALIAN CELLS SHAOXING INSTITUTE, ZHEJIANG UNIVERSITY (CN) 2025-10-23 US disclosed
EP-4526426-A2 METHODS FOR PRODUCING MONOTERPENE INDOLE ALKALOIDS Danmarks Tekniske Universitet (DK) 2025-03-26 EP disclosed
EP-4447954-A1 HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS Icahn School of Medicine at Mount Sinai (US) 2024-10-23 EP disclosed
CN-118516344-A Immobilization method of biocatalytic synthetase based on bacteriophage and sulfhydryl magnetic beads 江苏海洋大学 2024-08-20 CN disclosed
US-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2023-12-21 US disclosed
WO-2023222879-A2 METHODS FOR PRODUCING MONOTERPENE INDOLE ALKALOIDS DANMARKS TEKNISKE UNIVERSITET (DK) 2023-11-23 WO disclosed
WO-2023114472-A1 HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-06-22 WO disclosed
US-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 US disclosed
US-11453676-B2 Inhibitors of protein arginine deiminases FORWARD THERAPEUTICS, INC. (US) 2022-09-27 US 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-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA IL1A, IL1B, IL1R1 AHR 3845/4885CMA1 598/4885F7 1137/4885
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 AHR 1789/4885CMA1 1269/4885F7 2076/4885
US-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 AHR 2635/4885CMA1 596/4885F7 4066/4885
US-11453676-B2 Inhibitors of protein arginine deiminases PADI2, PADI1, PADI4 AHR 3616/4885CMA1 1541/4885F7 4529/4885

“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.