SCHEMBL812927

SCHEMBL812927

[C-]#[N+]C(C#N)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.37
ALDH1A1 P00352 7/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ESR1 P03372 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 3/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
C1S P09871 1/20 0.31
PRSS3 P35030 1/20 0.31
RECQL P46063 1/20 0.31
TSHR P16473 3/20 0.31

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
SCHEMBL813089 0.89 SMN1; SMN2 (0.37) CYP19A1ALDH1A1MAPTMAPK1RAB9A
SCHEMBL812936 0.85 CES2 (0.43) ALDH1A1MAPTMAPK1RAB9ALMNA
SCHEMBL124544 0.84 ESR1 (0.41) CYP19A1ALDH1A1POLBMAPTMAPK1
SCHEMBL813201 0.82 CYP1A2 (0.46) MAPTMAPK1LMNANPSR1CYP1A2
SCHEMBL12939896 0.82 SMN1; SMN2 (0.37) ALDH1A1POLBMAPTRAB9ALMNA
SCHEMBL812896 0.80 ALDH1A1 (0.37) ALDH1A1MAPTRAB9ALMNANPSR1
SCHEMBL10453518 0.79 MKNK1 (0.36) ALDH1A1MAPTMAPK1RAB9ALMNA
SCHEMBL813095 0.78 RAB9A (0.42) ALDH1A1POLBMAPTRAB9AKMT2A
SCHEMBL812937 0.78 CES2 (0.40) ALDH1A1MAPTMAPK1ESR1KMT2A
SCHEMBL13171739 0.76 ALDH1A1 (0.32) ALDH1A1POLBMAPTLMNAXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3248230-B1 USE OF ORGANIC MOLECULES IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2020-05-06 EP disclosed
US-9929363-B2 Composition and synthesis of aggregation-induced emission materials THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2018-03-27 US disclosed
US-9929363-B2 Composition and synthesis of aggregation-induced emission materials THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2018-03-27 US disclosed
US-9726932-B2 Optical film, optical compensation film, polarizing plate and liquid crystal display FUJIFILM CORPORATION (JP) 2017-08-08 US disclosed
US-20160231606-A1 OPTICAL FILM, OPTICAL COMPENSATION FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY FUJIFILM CORPORATION (JP) 2016-08-11 US disclosed
US-20160211470-A1 COMPOSITION AND SYNTHESIS OF AGGREGATION-INDUCED EMISSION MATERIALS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-07-21 US disclosed
US-9354356-B2 Polymer film, and optically-compensatory film, polarizer and liquid-crystal display device comprising the same FUJIFILM CORPORATION (JP) 2016-05-31 US disclosed
US-9348177-B2 Optical film, optical compensation film, polarizing plate and liquid crystal display FUJIFILM CORPORATION (JP) 2016-05-24 US disclosed
US-9195090-B2 Polymer film, optically-compensatory film, process for producing the same, polarizing plate and liquid-crystal display device FUJIFILM CORPORATION (JP) 2015-11-24 US disclosed
US-20150309348-A1 OPTICAL FILM, OPTICAL COMPENSATION FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY FUJIFILM CORPORATION (JP) 2015-10-29 US disclosed
US-7318951-B2 Retardation film, producing process thereof and liquid crystal display utilizing the same FUJIFILM CORPORATION (JP) 2008-01-15 US disclosed
US-20070292635-A1 Optical Compensation Polarizing Plate, Image Display Unit and Liquid Crystal Display Unit FUJIFILM CORPORATION (JP) 2007-12-20 US disclosed
US-20070285603-A1 Transparent Film And Optical Compensatory Film, Polarizing Plate And Liquid-Crystal Display Device Employing It FUJI PHOTO FILM CO., LTD. (JP) 2007-12-13 US disclosed
US-20070273815-A1 Cellulose acylate film, production method of cellulose acylate film, optically-compensatory film, polarizing plate and liquid crystal display device FUJIFILM CORPORATION (JP) 2007-11-29 US disclosed
US-20070252293-A1 METHOD FOR MANUFACTURING AN OPTICAL FILM HAVING A CONVEXOCONCAVE STRUCTURE, OPTICAL FILM, WIRE GRID POLARIZER AND RETARDATION FILM KONICA MINOLTA OPTO, INC. (JP) 2007-11-01 US disclosed
US-20070092663-A1 Cellulose ester film, polarizing plate and display KONICA MINOLTA OPTO, INC. 2007-04-26 US disclosed
US-20070076155-A1 Optical film, optical compensation film, polarizing plate and liquid crystal display FUJI PHOTO FILM CO., LTD. (JP) 2007-04-05 US disclosed
US-20070059458-A1 Cellulose acylate film, optically compensatory film, polarizing plate and liquid crystal display FUJI PHOTO FILM CO., LTD. (JP) 2007-03-15 US disclosed
US-20070048458-A1 Optical film, method of producing the same, optical compensatory film, polarizing film, and liquid crystal display device FUJI PHOTO FILM CO., LTD. (JP) 2007-03-01 US disclosed
US-20070040962-A1 Optical resin film and polarizing plate and liquid crystal display using same FUJI PHOTO FILM CO., LTD. (JP) 2007-02-22 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-20160211470-A1 COMPOSITION AND SYNTHESIS OF AGGREGATION-INDUCED EMISSION MATERIALS OCIAD2, ACIN1, JUND CYP19A1 3070/4885ALDH1A1 1526/4885POLB 775/4885

“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.