SCHEMBL20102

SCHEMBL20102

CC(=O)c1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.62
CES1 P23141 1/20 0.62
MAOB P27338 1/20 0.60
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
RAB9A P51151 3/20 0.56
NPC1 O15118 1/20 0.56
MAPT P10636 3/20 0.54
HPGD P15428 2/20 0.54
LMNA P02545 2/20 0.54
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GSK3B P49841 2/20 0.52
HSD17B1 P14061 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPK1 P28482 2/20 0.50
OGG1 O15527 1/20 0.50
MEN1 O00255 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL17187852 1.00 CES2 (0.62) CES2CES1MAOBCA1CA2
Water SCHEMBL28953297 0.97 CES2 (0.59) CES2CES1MAOBCA1CA2
Hydrochloric Acid SCHEMBL27695916 0.97 CES2 (0.59) CES2CES1MAOBCA1CA2
Formaldehyde SCHEMBL28213355 0.95 CES2 (0.56) CES2CES1MAOBCA1CA2
Benzene SCHEMBL27947348 0.95 MAPT (0.60) CES2CES1MAOBCA1CA2
Ethylene SCHEMBL2169416 0.95 CES2 (0.56) CES2CES1MAOBCA1CA2
Nitrogen SCHEMBL27858245 0.95 RAB9A (0.58) CES2CES1MAOBCA1CA2
SCHEMBL177294 0.93 MAPT (0.64) CES2CES1MAOBCA1CA2
Cyanide SCHEMBL27492933 0.93 RAB9A (0.56) CES2CES1MAOBCA1CA2
Butane SCHEMBL5320048 0.91 MAOB (0.58) CES2CES1MAOBCA1CA2

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

Appears in 8236 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260028600-A1 TRANSAMINASE POLYPEPTIDES CODEXIS INC (US) 2026-01-29 US claimed
US-12448611-B2 Transaminase polypeptides CODEXIS, INC. (US) 2025-10-21 US claimed
EP-4581071-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2025-07-09 EP claimed
CN-120152517-A OLED device with high exciton utilization rate and preparation method thereof 南京邮电大学 2025-06-13 CN claimed
CN-120040652-A Amphiphilic polymer-photothermal agent composite material and preparation method and application thereof 厦门大学 2025-05-27 CN claimed
CN-119972144-A Method for preparing phenol or ether compound by photocatalysis 中国科学院化学研究所 2025-05-13 CN claimed
CN-119529247-A Thiazole group-containing biphenyl structure conjugated microporous polymer and preparation method thereof 河南科技大学 2025-02-28 CN claimed
CN-119505086-A Chiral rare earth metal macromolecule and preparation method thereof 陕西科技大学 2025-02-25 CN claimed
CN-119264104-A One-step synthesis method of drug intermediate 6-amino-2-thiocarbonyl-2H-thiopyran derivative 南京欣久医药科技有限公司 2025-01-07 CN claimed
CN-119161295-A Synthesis method of chiral 3- (1-aryl-2-alkyl) pyridine compound 南京工业大学 2024-12-20 CN claimed
US-4031082-A Process for preparing 3-acycloxymethyl-2-cephem compounds ELI LILLY AND COMPANY (US) 1977-06-21 US claimed
US-4029651-A ESTERIFICATION ELI LILLY AND COMPANY (US) 1977-06-14 US claimed
US-4020059-A Process for preparing tertiary amines NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JA) 1977-04-26 US claimed
US-4016155-A Process for preparing cephalosporin derivatives SANKYO COMPANY LIMITED (JA) 1977-04-05 US claimed
US-4014873-A Process for the production of 7-acylamidocephalosporins MERCK & CO., INC. (US) 1977-03-29 US claimed
US-3997533-A Process for the preparation of 7-acylamino-desacetoxycephalosporanic derivatives BAYER AKTIENGESELLSCHAFT (DT) 1976-12-14 US claimed
US-3978078-A Process for the preparation of ampicillin RHONE-POULENC S.A. (FR) 1976-08-31 US claimed
US-3962224-A CHEMICAL INTERMEDIATES FOR ANTIBIOTICS MERCK & CO., INC. (US) 1976-06-08 US claimed
US-3956153-A MINIMIZATION OF UNDERCOOLING BIO-MEDICAL SCIENCES, INC. (US) 1976-05-11 US claimed
US-3953437-A Process of preparing cephalosporanic acid ester derivatives YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-04-27 US claimed