SCHEMBL52706

SCHEMBL52706

CCOC(=O)CCCCCCCCCCBr

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
ALDH1A1 P00352 3/20 0.56
TRPA1 O75762 1/20 0.56
DGKA P23743 1/20 0.54
ALOX15 P16050 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
TSHR P16473 2/20 0.53
CYP3A4 P08684 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GAA P10253 2/20 0.52
PAM P19021 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
USP2 O75604 1/20 0.47
KMT2A Q03164 2/20 0.47
NR1I2 O75469 1/20 0.47
PGR P06401 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
PTGS2 P35354 1/20 0.47

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
SCHEMBL31049888 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL31049893 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL31049856 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL318062 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL1005765 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL24597734 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL3862786 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL47126 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL1703446 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL31049851 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119613646-A Electrochromic material based on organic framework structure and electrochromic device thereof 宁波祢若电子科技有限公司 2025-03-14 CN claimed
CN-115850618-A Dynamic cross-linked azobenzene liquid crystal elastomer with linear/star SBS block copolymer as main chain and preparation method thereof 大连理工大学 2023-03-28 CN claimed
US-12570901-B2 Cured product, curable resin composition, optical member, lens, diffractive optical element, multilayer diffractive optical element, and compound FUJIFILM CORPORATION (JP) 2026-03-10 US disclosed
US-20250361250-A1 FLUORINE-CONTAINING SILANE COMPOUND DAIKIN INDUSTRIES, LTD. (JP) 2025-11-27 US disclosed
US-20250340517-A1 HIGH-DIELECTRIC CONSTANT ZWITTERIONIC LIQUIDS PENN STATE RES FOUND (US) 2025-11-06 US disclosed
EP-4561585-A1 IP4-4,6 SUBSTITUTED DERIVATIVE COMPOUNDS FOR USE IN THE TREATMENT, INHIBITION OF PROGRESSION, AND PREVENTION OF ECTOPIC CALCIFICATION Sanifit Therapeutics S.A. (ES) 2025-06-04 EP disclosed
EP-4562019-A1 IP5 SUBSTITUTED COMPOUNDS Sanifit Therapeutics S.A. (ES) 2025-06-04 EP disclosed
EP-4269396-B1 COMPOUND, CORROSION INHIBITOR, AND LUBRICANT COMPOSITION IDEMITSU KOSAN CO (JP) 2025-05-14 EP disclosed
CN-117659003-B Berberine derivative and preparation method and application thereof 西南大学 2024-11-26 CN disclosed
WO-2024172034-A1 FLUORINE-CONTAINING SILANE COMPOUND ダイキン工業株式会社 2024-08-22 WO disclosed
CN-115003708-B Cured product, curable resin composition, optical member, lens, diffractive optical element, multilayer diffractive optical element, and compound 富士胶片株式会社 2024-07-09 CN disclosed
US-4933157-A IMAGING AGENTS FOR ADRENAL GLANDS THE UNIVERSITY OF MICHIGAN (US) 1990-06-12 US disclosed
EP-0359197-A1 Antihypercholesterolemic 4,5-diaryl-2-substituted thioimidazoles THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1990-03-21 EP disclosed
US-4900744-A Antihypercholesterolemic 4,5-diaryl-2-substituted thioimidazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-02-13 US disclosed
US-4873075-A SITE-SPECIFIC TO LIVER AND HEPATOCYTE; SCINTIGRAPHY IMAGING THE UNIVERSITY OF MICHIGAN (US) 1989-10-10 US disclosed
EP-0303177-A2 Polymers having functional groups BASF Aktiengesellschaft (DE) 1989-02-15 EP disclosed
EP-0097719-B1 PROCESS FOR PRODUCING HIGHER DIBASIC ACID DIMETHYL ESTER Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-06-03 EP disclosed
US-4525251-A DIMETHYL SEBACATE, BRASSYLATE, OR THAPSATE; BATCH ELECTROLYTIC CON ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-06-25 US disclosed
EP-0097719-A1 PROCESS FOR PRODUCING HIGHER DIBASIC ACID DIMETHYL ESTER Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-01-11 EP disclosed
US-3954902-A QUATERNARY AMMONIUM UNITS, MELT SPINNING RHONE-POULENC-TEXTILE (FR) 1976-05-04 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 (3 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-12570901-B2 Cured product, curable resin composition, optical member, lens, diffractive optical element, multilayer diffractive optical element, and compound POLA1, POLR2A, POLR2B CYP1A2 3323/4885ALDH1A1 1861/4885TRPA1 3190/4885
US-20250340517-A1 HIGH-DIELECTRIC CONSTANT ZWITTERIONIC LIQUIDS KCNH3, KCNN2, KCNN1 CYP1A2 4150/4885ALDH1A1 1713/4885TRPA1 351/4885
US-20250361250-A1 FLUORINE-CONTAINING SILANE COMPOUND FLI1, AFF1, RFT1 CYP1A2 428/4885ALDH1A1 879/4885TRPA1 3963/4885

“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.