SCHEMBL583097

SCHEMBL583097

CC(CBr)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.58
AOC3 Q16853 2/20 0.52
TRPA1 O75762 4/20 0.50
RIPK1 Q13546 1/20 0.50
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL2736634 1.00 TAAR1 (0.58) TAAR1AOC3TRPA1RIPK1KDM4E
SCHEMBL8159872 1.00 TAAR1 (0.58) TAAR1AOC3TRPA1RIPK1KDM4E
SCHEMBL27548676 0.87 TAAR1 (0.47) TAAR1AOC3TRPA1RIPK1KDM4E
SCHEMBL11755433 0.86 GRIA4 (0.50) TAAR1AOC3ALDH1A1
SCHEMBL11024335 0.86 ESR1 (0.41) TAAR1AOC3TRPA1RIPK1
SCHEMBL29224030 0.83 TRPA1 (0.67) TAAR1AOC3TRPA1RIPK1KDM4E
SCHEMBL11024645 0.82 HDAC4 (0.41) TAAR1AOC3TRPA1RIPK1KDM4E
SCHEMBL1553853 0.80 RIPK1 (0.57) TAAR1AOC3TRPA1RIPK1
SCHEMBL6280516 0.78 RIPK1 (0.67) TAAR1AOC3TRPA1RIPK1
SCHEMBL3672929 0.78 TRPA1 (0.67) TAAR1AOC3TRPA1RIPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117598319-A Mite-killing composition containing fluazinam and bifenazate 江西田友生化有限公司 2024-02-27 CN claimed
CN-104513326-B Reversible addition-fragmentation chain transfer reagent and preparation and application thereof PETROCHINA COMPANY LIMITED (CN) 2016-05-11 CN claimed
CN-104513326-A Reversible addition-fragmentation chain transfer reagent and preparation and application thereof PETROCHINA CO LTD 2015-04-15 CN claimed
JP-7278031-A None JP disclosed
EP-3214099-B1 METHOD FOR PRODUCING CONJUGATED DIENE POLYMER ZEON CORP (JP) 2024-12-11 EP disclosed
CN-118048666-A Methylsulfonate type pure tin electroplating solution additive and electroplating solution containing same 成都开华化工研究所 2024-05-17 CN disclosed
CN-111406078-B Catalyst for preparing polyethylene with broad bimodal molecular weight distribution 埃克森美孚化学专利公司 2023-03-10 CN disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
US-11407772-B2 Optically-active cyclopentenone derivatives TOHOKU UNIVERSITY (JP) 2022-08-09 US disclosed
US-11364220-B2 Compounds and methods for inhibiting CPY26 enzymes QUEEN'S UNIVERSITY AT KINGSTON (CA) 2022-06-21 US disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
US-4028438-A INSECTICIDES, FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-06-07 US disclosed
US-3962307-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 US disclosed
US-3944595-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1976-03-16 US disclosed
US-3933900-A ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING THE UPJOHN COMPANY (US) 1976-01-20 US disclosed
US-3933899-A ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING THE UPJOHN COMPANY (US) 1976-01-20 US disclosed
US-3933898-A ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING THE UPJOHN COMPANY (US) 1976-01-20 US disclosed
US-3933897-A ANTIULCER, ASTHMA, RENAL DYSFUNCTION THE UPJOHN COMPANY (US) 1976-01-20 US disclosed
US-3933895-A PROSTAGLANDINS, ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING THE UPJOHN COMPANY (US) 1976-01-20 US disclosed
US-3933896-A ANTICOAGULANTS, ASTHMA, LABOR INDUCERS, CERVICAL DILATION THE UPJOHN COMPANY (US) 1976-01-20 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 (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-11364220-B2 Compounds and methods for inhibiting CPY26 enzymes CYP2A6, CYP27A1, CYP26B1 TAAR1 4541/4885AOC3 1322/4885TRPA1 4876/4885
US-11407772-B2 Optically-active cyclopentenone derivatives PTGIS, PTGES, PTGES2 TAAR1 4061/4885AOC3 1650/4885TRPA1 1484/4885

“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.