SCHEMBL2314941

SCHEMBL2314941

CCOc1cccc2cc3ccccc3cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
TLR8 Q9NR97 1/20 0.45
HTR1B P28222 5/20 0.44
TSHR P16473 1/20 0.44
NQO1 P15559 1/20 0.44
CYP2A6 P11509 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
KCNA3 P22001 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
HTR1D P28221 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL29919659 0.94 CYP2A6 (0.47) ALDH1A1TLR8HTR1BTSHRCYP2A6
SCHEMBL29102436 0.94 CYP2A6 (0.47) ALDH1A1TLR8HTR1BTSHRCYP2A6
SCHEMBL29862266 0.92 CYP2A6 (0.46) ALDH1A1TLR8HTR1BTSHRCYP2A6
SCHEMBL10634329 0.86 KCNA3 (0.42) ALDH1A1HTR1BTSHRNQO1KCNA3
SCHEMBL23458217 0.86 NQO1 (0.59) ALDH1A1TLR8NQO1L3MBTL1CYP1A2
SCHEMBL29919618 0.86 NQO1 (0.59) ALDH1A1TLR8NQO1L3MBTL1CYP1A2
SCHEMBL10634196 0.85 HTR1B (0.51) TLR8HTR1BCYP2A6KCNA3HTR1D
SCHEMBL31080864 0.85 HTR1B (0.51) TLR8HTR1BCYP2A6KCNA3HTR1D
SCHEMBL21633627 0.84 NCF1 (0.51) ALDH1A1HTR1BTSHRL3MBTL1KCNA3
SCHEMBL28096380 0.84 LTA4H (0.53) NQO1L3MBTL1CYP1A2CYP2D6CYP2C19

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
US-4773916-A SPARK IGNITION WITH FUSED RING COMPOUNDS UNION OIL COMPANY OF CALIFORNIA (US) 1988-09-27 US claimed
US-11958971-B2 Photocurable composition, method for producing concave-convex structure, method for forming fine concave-convex pattern, and concave-convex structure MITSUI CHEMICALS, INC. (JP) 2024-04-16 US disclosed
WO-2024006799-A1 COVALENT ATTACHMENT OF SPLINT OLIGONUCLEOTIDES FOR MOLECULAR ARRAY GENERATION USING LIGATION 10X GENOMICS, INC. (US) 2024-01-04 WO disclosed
US-11613509-B2 Radical polymerization control agent and radical polymerization control method KAWASAKI KASEI CHEMICALS LTD. (JP) 2023-03-28 US disclosed
WO-2023008534-A1 SUBSTRATE LAMINATE, IMAGE SENSOR, AND METHOD FOR MANUFACTURING SUBSTRATE LAMINATE 株式会社カネカ 2023-02-02 WO disclosed
US-20220135787-A1 PHOTOCURABLE COMPOSITION, METHOD FOR PRODUCING CONCAVE-CONVEX STRUCTURE, METHOD FOR FORMING FINE CONCAVE-CONVEX PATTERN, AND CONCAVE-CONVEX STRUCTURE MITSUI CHEMICALS, INC. (JP) 2022-05-05 US disclosed
EP-3877473-A1 UV CURABLE COMPOSITIONS Sun Chemical Corporation (US) 2021-09-15 EP disclosed
US-20210122692-A1 RADICAL POLYMERIZATION CONTROL AGENT AND RADICAL POLYMERIZATION CONTROL METHOD KAWASAKI KASEI CHEMICALS LTD. (JP) 2021-04-29 US disclosed
WO-2020196764-A1 ALKALI-SOLUBLE POLYIMIDE AND PRODUCTION METHOD THEREOF, NEGATIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, AND PRODUCTION METHOD OF PATTERN CURED FILM 株式会社カネカ 2020-10-01 WO disclosed
EP-2744634-A1 IRRADIATING AND MOLDING UNIT Momentive Performance Materials GmbH (DE) 2014-06-25 EP disclosed
WO-2013024146-A1 IRRADIATING AND MOLDING UNIT MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2013-02-21 WO disclosed
EP-2536549-A1 INTEGRAL IRRADIATION UNIT Momentive Performance Materials GmbH (DE) 2012-12-26 EP disclosed
WO-2011101269-A1 INTEGRAL IRRADIATION UNIT MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2011-08-25 WO disclosed
US-20100255211-A1 ACTINIC ENERGY RADIATION CURABLE INK-JET INK AND INK-JET IMAGE FORMING METHOD KONICA MINOLTA IJ TECHNOLOGIES, INC. (JP) 2010-10-07 US disclosed
US-4773916-A SPARK IGNITION WITH FUSED RING COMPOUNDS UNION OIL COMPANY OF CALIFORNIA (US) 1988-09-27 US disclosed
EP-0146501-A2 Polymerizable compositions CIBA-GEIGY AG (CH) 1985-06-26 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-11613509-B2 Radical polymerization control agent and radical polymerization control method PPOX, NOX4, CROCC ALDH1A1 1023/4885TLR8 4378/4885HTR1B 3651/4885
US-20210122692-A1 RADICAL POLYMERIZATION CONTROL AGENT AND RADICAL POLYMERIZATION CONTROL METHOD PPOX, NOX4, CROCC ALDH1A1 1023/4885TLR8 4378/4885HTR1B 3651/4885

“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.