SCHEMBL6851578

SCHEMBL6851578

O=C1CCC(=Cc2ccccc2)C1=Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.64
ALDH1A1 P00352 4/20 0.58
HTT P42858 1/20 0.58
F3 P13726 1/20 0.55
MAOB P27338 6/20 0.51
HPGD P15428 2/20 0.50
MGAM O43451 3/20 0.46
GAA P10253 3/20 0.46
SI P14410 3/20 0.46
MGAM2 Q2M2H8 3/20 0.46
MAPT P10636 4/20 0.45
MIF P14174 4/20 0.45
MAOA P21397 1/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL21539509 1.00 CYP1A2 (0.64) CYP1A2ALDH1A1HTTF3MAOB
SCHEMBL2201906 0.89 ALDH1A1 (0.76) CYP1A2ALDH1A1HTTF3MAOB
SCHEMBL5585178 0.89 ALDH1A1 (0.76) CYP1A2ALDH1A1HTTF3MAOB
SCHEMBL30424729 0.85 ALDH1A1 (0.77) CYP1A2ALDH1A1HTTF3MAOB
SCHEMBL29506226 0.81 AKR1C3 (0.61) CYP1A2ALDH1A1MAOBMAPTMAOA
SCHEMBL624285 0.81 HSD11B1 (0.67) CYP1A2ALDH1A1MAOBMAPTMAOA
SCHEMBL8947501 0.80 MAPT (0.61) CYP1A2ALDH1A1HTTHPGDMAPT
SCHEMBL8947502 0.80 MAPT (0.61) CYP1A2ALDH1A1HTTHPGDMAPT
SCHEMBL1414018 0.79 ALDH1A1 (0.68) CYP1A2ALDH1A1HTTF3MAOB
SCHEMBL12272592 0.79 ALDH1A1 (0.62) CYP1A2ALDH1A1HTTF3MAOB

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103012087-B Green synthetic method of alpha, alpha'-double benzylidene cycloalkanone compound DALIAN CHEMICAL PHYSICS INST 2015-02-04 CN claimed
CN-100497293-C Method of preparing alpha,alpha'-di(substituted benzylidene)cyclone ultraviolet radiation absorbent UNIV ZHEJIANG (CN) 2009-06-10 CN claimed
CN-101054348-A Method of preparing alpha,alpha'-di(substituted benzylidene)cyclone ultraviolet radiation absorbent UNIV ZHEJIANG (CN) 2007-10-17 CN claimed
EP-4419094-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE, INFLAMMATORY, AND IMMUNOLOGICAL DISEASES, AND INFECTIONS Edison Oncology (US) 2024-08-28 EP disclosed
WO-2023069727-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE, INFLAMMATORY, AND IMMUNOLOGICAL DISEASES, AND INFECTIONS EDISON ONCOLOGY (US) 2023-04-27 WO disclosed
US-11603458-B2 Black resin composition, cured film, and black filter ECHEM SOLUTIONS CORP. (TW) 2023-03-14 US disclosed
CN-114326307-A Black resin composition, cured film, and black filter 新应材股份有限公司 2022-04-12 CN disclosed
US-20220098398-A1 BLACK RESIN COMPOSITION, CURED FILM, AND BLACK FILTER ECHEM SOLUTIONS CORP. (TW) 2022-03-31 US disclosed
WO-2020121653-A1 HOLOGRAM RECORDING COMPOSITION, HOLOGRAM RECORDING MEDIUM, DIFFRACTION OPTICAL ELEMENT, AND OPTICAL DEVICE, OPTICAL COMPONENT, AND IMAGE DISPLAY DEVICE IN WHICH DIFFRACTION OPTICAL ELEMENT IS USED ソニー株式会社 2020-06-18 WO disclosed
US-10576067-B2 Therapeutic compositions containing harmine and isovanillin components, and methods of use thereof ANKH LIFE SCIENCES LIMITED (IE) 2020-03-03 US disclosed
US-10471049-B2 Therapeutic compositions containing harmine and isovanillin components, and methods of use thereof ANKH LIFE SCIENCES LIMITED (IE) 2019-11-12 US disclosed
CN-103012087-B Green synthetic method of alpha, alpha'-double benzylidene cycloalkanone compound DALIAN CHEMICAL PHYSICS INST 2015-02-04 CN disclosed
CN-100497293-C Method of preparing alpha,alpha'-di(substituted benzylidene)cyclone ultraviolet radiation absorbent UNIV ZHEJIANG (CN) 2009-06-10 CN disclosed
CN-101054348-A Method of preparing alpha,alpha'-di(substituted benzylidene)cyclone ultraviolet radiation absorbent UNIV ZHEJIANG (CN) 2007-10-17 CN disclosed
US-6777447-B2 ANTIINFLAMMATORY AGENTS, BACTERICIDES, OXIDATION RESISTANCE, ANTICANCER AGENTS GADJAH MADA, FACULTY OF PHARMACY, UNIVERSITY OF, THE (ID) 2004-08-17 US disclosed
US-20030092772-A1 Derivatives of benzylidene cyclohexanone, benzylidene cyclopentanone, and benzylidene acetone, and therapeutic uses thereof GADJAH MADA, FACULTY OF PHARMACY, UNIVERSITY OF, THE (ID) 2003-05-15 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-10471049-B2 Therapeutic compositions containing harmine and isovanillin components, and methods of use thereof INMT, HNMT, COMT CYP1A2 1507/4885ALDH1A1 320/4885HTT 30/4885
US-20030092772-A1 Derivatives of benzylidene cyclohexanone, benzylidene cyclopentanone, and benzylidene acetone, and therapeutic uses thereof GSTK1, GSTP1, CAT CYP1A2 258/4885ALDH1A1 186/4885HTT 1864/4885
US-10576067-B2 Therapeutic compositions containing harmine and isovanillin components, and methods of use thereof INMT, HNMT, COMT CYP1A2 1507/4885ALDH1A1 320/4885HTT 30/4885

“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.