SCHEMBL462447

SCHEMBL462447

CCC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.66
ALDH1A1 P00352 2/20 0.66
HSD11B1 P28845 1/20 0.53
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
LMNA P02545 3/20 0.47
CYP2D6 P10635 2/20 0.47
CTSD P07339 1/20 0.47
CHRM1 P11229 3/20 0.46

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
Hydrochloric Acid SCHEMBL3647675 0.98 ALDH1A1 (0.64) CYP1A2ALDH1A1HSD11B1TDP1L3MBTL1
SCHEMBL29425025 0.89 ALDH1A1 (0.55) CYP1A2ALDH1A1HSD11B1TDP1L3MBTL1
SCHEMBL23031986 0.84 MEN1 (0.52) CYP1A2ALDH1A1HSD11B1LMNAMEN1
SCHEMBL31538813 0.83 ALDH1A1 (0.54) CYP1A2ALDH1A1HSD11B1TDP1L3MBTL1
SCHEMBL27433410 0.83 ALDH1A1 (0.54) CYP1A2ALDH1A1HSD11B1TDP1L3MBTL1
SCHEMBL23031988 0.83 ALDH1A1 (0.50) CYP1A2ALDH1A1LMNACYP2D6MAPT
SCHEMBL11994163 0.83 HSD11B1 (0.50) CYP1A2ALDH1A1HSD11B1TDP1L3MBTL1
SCHEMBL108987 0.82 ESR1 (0.52) CYP1A2ALDH1A1TDP1LMNACYP2D6
SCHEMBL9247708 0.82 SRC (0.56) CYP1A2ALDH1A1LMNACYP2D6MEN1
SCHEMBL3410010 0.80 ALDH1A1 (0.50) CYP1A2ALDH1A1LMNACYP2D6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116333663-B Carbon dioxide-based reactive polyurethane hot melt adhesive and preparation method thereof 韦尔通科技股份有限公司 2025-01-03 CN claimed
CN-118040047-A Sodium ion battery deep eutectic electrolyte and sodium ion battery 常州千沐新能源有限公司 2024-05-14 CN claimed
CN-116333663-A Carbon dioxide-based reactive polyurethane hot melt adhesive and preparation method thereof 韦尔通科技股份有限公司 2023-06-27 CN claimed
CN-113905890-B Method for transferring an embossed structure to a coating composition by pretreatment of an embossing tool for transfer 巴斯夫涂料有限公司 2024-12-27 CN disclosed
CN-118251208-A Degradable intrauterine system for prolonged release of active ingredient in uterine cavity 沃梅德公司 2024-06-25 CN disclosed
CN-115996686-B Medical device comprising expandable muscle polymer 巴德外周血管股份有限公司 2024-03-22 CN disclosed
CN-112969733-B Aqueous base formulations based on functionalized polyurethanes 巴斯夫欧洲公司 2024-02-20 CN disclosed
CN-117479932-A Pyrazolone compounds for degenerative retinal diseases 弗洛内克斯特(股份)责任有限公司 2024-01-30 CN disclosed
CN-115044337-B UV-moisture dual-curing adhesive and preparation method thereof 韦尔通科技股份有限公司 2024-01-19 CN disclosed
CN-117222663-A Methods of treating cancer using multi-specific binding proteins that bind NKG2D, CD16 and tumor-associated antigens 蜻蜓疗法股份有限公司 2023-12-12 CN disclosed
EP-4271696-A2 CYCLIC-DISULFIDE MODIFIED PHOSPHATE BASED OLIGONUCLEOTIDE PRODRUGS Alnylam Pharmaceuticals, Inc. (US) 2023-11-08 EP disclosed
US-7691418-B2 Composition for inhibiting or preventing the formation of a biofilm OYSTERSHELL NV (BE) 2010-04-06 US disclosed
US-7531539-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-12 US disclosed
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof AVALON PHARMACEUTICALS 2009-02-05 US disclosed
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20070258913-A1 Composition for Inhibiting or Preventing the Formation of a Biofilm OYSTERSHELL NV (BE) 2007-11-08 US disclosed
EP-1796656-A2 COMPOSITION FOR INHIBITING OR PREVENTING THE FORMATION OF A BIOFILM Oystershell NV (BE) 2007-06-20 EP disclosed
WO-2006029893-A2 COMPOSITION FOR INHIBITING OR PREVENTING THE FORMATION OF A BIOFILM OYSTERSHELL NV (BE) 2006-03-23 WO disclosed
CN-1179101-A Long-shelf-life medicaments BASF AG (DE) 1998-04-15 CN disclosed
WO-1994015903-A1 3,3 DIPHENYL PROP-2-YL AMINO ACID DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1994-07-21 WO 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-20070258913-A1 Composition for Inhibiting or Preventing the Formation of a Biofilm NQO2, NFKBIA, CROCC CYP1A2 1198/4885ALDH1A1 2205/4885HSD11B1 576/4885
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, NTRK2, NTRK3 CYP1A2 3535/4885ALDH1A1 3191/4885HSD11B1 3510/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD CYP1A2 2208/4885ALDH1A1 591/4885HSD11B1 1489/4885

“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.