SCHEMBL129325

SCHEMBL129325

[S]c1cccc2cc3ccccc3cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 6/20 0.44
HIF1A Q16665 4/20 0.44
CYP1B1 Q16678 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
CYP1A2 P05177 4/20 0.40
ACHE P22303 2/20 0.40
ERBB2 P04626 1/20 0.40
FYN P06241 1/20 0.40
MAOA P21397 1/20 0.40
AHR P35869 1/20 0.40
MAPK1 P28482 3/20 0.39
MITF O75030 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL2646 0.76 ALDH1A1 (0.53) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL23664 0.75 ALDH1A1 (0.72) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL29532882 0.75 ALDH1A1 (0.72) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL4848746 0.75 ALDH1A1 (0.72) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL4853659 0.75 ALDH1A1 (0.72) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL241836 0.75 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EMEN1KMT2A
Anthracene SCHEMBL28787108 0.74 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EMEN1KMT2A
Fluoride SCHEMBL6276619 0.74 ALDH1A1 (0.50) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL29354014 0.74 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2871930 0.74 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110684050-A Preparation method and application of 7-position vinyl substituted osmium heteropentadiyne 厦门大学 2020-01-14 CN claimed
CN-106543232-B Metal bridge location fused ring compound and its preparation method and application 厦门大学 2019-01-11 CN claimed
WO-2017064243-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN GAS SENSORS BASF SE (DE) 2017-04-20 WO claimed
US-20120068123-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN ORGANIC SOLAR CELLS BASF SE (DE) 2012-03-22 US claimed
EP-0582455-B1 Benzoxazinones as inhibitors of HIV reverse transcriptase MERCK & CO INC (US) 2000-11-02 EP claimed
CN-118284274-A Charge-transporting varnish 日产化学株式会社 2024-07-02 CN disclosed
WO-2024128000-A1 ISOPOLYOXOTUNGSTATE SALT COMPOUND, SOLVATE THEREOF OR MIXTURE OF SAID COMPOUND AND SOLVATE, AND METHOD FOR PRODUCING SAID COMPOUND, SOLVATE OR MIXTURE 東京応化工業株式会社 2024-06-20 WO disclosed
WO-2024122572-A1 WAVELENGTH CONVERSION FILM-FORMING COMPOSITION AND FUSED THIOPHENE COMPOUND 日産化学株式会社 2024-06-13 WO disclosed
CN-117598046-A Organic electroluminescent element 保土谷化学工业株式会社 2024-02-23 CN disclosed
CN-117304488-A Polymaleimide resin, curable composition, cured product, prepreg, circuit board, and laminated film DIC株式会社 2023-12-29 CN disclosed
CN-111989317-B Polymerizable liquid crystal compound, polymerizable liquid crystal composition, polymer, optical film, optically anisotropic body, and polarizing plate 日本瑞翁株式会社 2023-12-01 CN disclosed
US-11829036-B2 Optically anisotropic multilayer product and method for producing same ZEON CORPORATION (JP) 2023-11-28 US disclosed
EP-0542117-A1 Process for the preparation of aryle esters of chloroformic acid BASF Aktiengesellschaft (DE) 1993-05-19 EP disclosed
EP-0542132-A1 Process for the preparation of aryle esters of chloroformic acid BASF Aktiengesellschaft (DE) 1993-05-19 EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP disclosed
US-4729992-A Cephalosporin esters, their production and use TATSUO CHEMICAL IND., LTD. (JP) 1988-03-08 US disclosed
US-4698339-A BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-10-06 US disclosed
EP-0159899-A2 Cephalosporin esters, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-10-30 EP disclosed
EP-0137403-A2 Carbapenems, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-04-17 EP disclosed
US-4370499-A CHEMICAL INTERMEDIATES FOR COLOR PHOTOGRAPHY BAYER AKTIENGESELLSCHAFT (DE) 1983-01-25 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 (1 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-20120068123-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN ORGANIC SOLAR CELLS RB1, NRAS, HLA-B ALDH1A1 761/4885MAPT 3100/4885KDM4E 2337/4885

“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.