SCHEMBL2909366

SCHEMBL2909366

CCc1ccc(C=O)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 5/20 0.58
ALDH1A1 P00352 12/20 0.54
ALDH3A1 P30838 4/20 0.54
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PTGS2 P35354 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2A6 P11509 1/20 0.38
FDPS P14324 1/20 0.38
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
PTGER4 P35408 1/20 0.37

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
SCHEMBL30021376 0.83 ALDH1A3 (0.49) ALDH1A3ALDH1A1ALDH3A1RAB9AMAPT
SCHEMBL14329287 0.83 ALDH1A3 (0.49) ALDH1A3ALDH1A1ALDH3A1RAB9AMAPT
SCHEMBL17157479 0.83 ALDH1A3 (0.53) ALDH1A3ALDH1A1ALDH3A1RAB9AMAPT
SCHEMBL22490053 0.82 ALDH1A3 (0.47) ALDH1A3ALDH1A1ALDH3A1RAB9AMAPT
SCHEMBL16955992 0.82 ALDH1A3 (0.40) ALDH1A3ALDH1A1ALDH3A1MAPTSMN1; SMN2
SCHEMBL16957022 0.82 ALDH1A3 (0.40) ALDH1A3ALDH1A1ALDH3A1MAPTTSHR
SCHEMBL2735985 0.82 ALDH1A3 (0.47) ALDH1A3ALDH1A1ALDH3A1RAB9AMAPT
SCHEMBL29214423 0.81 ALDH1A3 (0.47) ALDH1A3ALDH1A1ALDH3A1RAB9AMAPT
SCHEMBL606640 0.80 ALDH1A1 (0.45) ALDH1A3ALDH1A1ALDH3A1RAB9AMAPT
SCHEMBL28829387 0.80 ALDH1A3 (0.46) ALDH1A3ALDH1A1ALDH3A1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116057059-B Deuterated compounds useful as KRAS G12D inhibitors 南京燧坤智能科技有限公司 2024-03-08 CN disclosed
CN-116057059-A Deuterated compounds useful as KRAS G12D inhibitors 南京燧坤智能科技有限公司 2023-05-02 CN disclosed
WO-2022262838-A1 DEUTERATED COMPOUNDS USEFUL AS KRAS G12D INHIBITORS SILEXON AI TECHNOLOGY CO., LTD. (CN) 2022-12-22 WO disclosed
WO-2022262838-A1 DEUTERATED COMPOUNDS USEFUL AS KRAS G12D INHIBITORS SILEXON AI TECHNOLOGY CO., LTD. (CN) 2022-12-22 WO disclosed
EP-2199290-B1 Method of nucleating a polyolefin composition with acetal-based compounds MILLIKEN & CO (US) 2018-06-06 EP disclosed
EP-2229377-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS Wyeth LLC (US) 2010-09-22 EP disclosed
EP-1740653-B1 METHOD OF NUCLEATING A POLYOLEFIN COMPOSITION WITH ACETAL-BASED COMPOUNDS MILLIKEN & CO (US) 2010-08-18 EP disclosed
EP-2199290-A2 Method of nucleating a polyolefin composition with acetal-based compounds Milliken & Company (US) 2010-06-23 EP disclosed
WO-2009076602-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS WYETH (US) 2009-06-18 WO disclosed
US-7524873-B2 Substituted N-phenylmethyl ethanamines; N-((6-(methyloxy)-4'-(trifluoromethyl)-1,1'-biphenyl-3-yl)methyl)-1-(1-naphthalenyl)ethanamine; parathyroid hormone inhibitors; antisecretory agents; osteoporosis AMGEN INC. (US) 2009-04-28 US disclosed
US-20030127631-A1 Novel symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same ANDERSON JOHN D (US) 2003-07-10 US disclosed
US-6547988-B2 Plastic additives which are useful as nucleating agents and which are especially useful for improving the optical properties of polymeric materials; also useful as gelling agents for water and organic solvents MILLIKEN & COMPANY 2003-04-15 US disclosed
US-20030008951-A1 Novel symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same MILLIKEN & COMPANY 2003-01-09 US disclosed
US-6500964-B2 BY REACTING SUBSTITUTED BENZALDEHYDE(S) WITH ALDITOL(S) SUCH AS SORBITOL MILLIKEN & COMPANY 2002-12-31 US disclosed
WO-2002079124-A2 METHOD OF PRODUCING HIGH YIELD ALDITOL ACETALS WITH MINERAL ACIDS AND SURFACTANTS MILLIKEN & COMPANY (US) 2002-10-10 WO disclosed
WO-2002077086-A2 NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & COMPANY (US) 2002-10-03 WO disclosed
US-20020137953-A1 Method of producing high yield alditol acetals with mineral acids and surfactants MILLIKEN & COMPANY 2002-09-26 US disclosed
EP-0254578-B1 ANTIBIOTIC INTERMEDIATES ELI LILLY AND COMPANY (US) 1993-09-08 EP disclosed
US-4772694-A Chiral 3-(1,2,5-trisubstituted imidazolidinone) azetidinone antibiotic intermediates ELI LILLY AND COMPANY (US) 1988-09-20 US disclosed
EP-0254578-A1 Antibiotic intermediates ELI LILLY AND COMPANY (US) 1988-01-27 EP 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-20030008951-A1 Novel symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same ADH1C, ADH1A, ALDOA ALDH1A3 55/4885ALDH1A1 69/4885ALDH3A1 9/4885
US-20020137953-A1 Method of producing high yield alditol acetals with mineral acids and surfactants SORD, ALDOA, DERA ALDH1A3 1159/4885ALDH1A1 1328/4885ALDH3A1 251/4885

“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.