SCHEMBL1127922

SCHEMBL1127922

S=[C]Oc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 7/20 0.46
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 2/20 0.44
SLC6A4 P31645 2/20 0.44
ABCB11 O95342 1/20 0.44
NR3C1 P04150 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ALOX15 P16050 1/20 0.44
ADRA2C P18825 1/20 0.44
MAOA P21397 1/20 0.44
DRD1 P21728 1/20 0.44
HTR2B P41595 1/20 0.44
CCR2 P41597 1/20 0.44
KDM4E B2RXH2 3/20 0.43
KCNA3 P22001 1/20 0.43

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
SCHEMBL30725930 0.78 HTR1B (0.46) HTR1BALDH1A1HSD17B10TDP1HPGD
SCHEMBL27467534 0.78 HTR1B (0.46) HTR1BALDH1A1HSD17B10TDP1HPGD
SCHEMBL2945 0.78 ALDH1A1 (0.47) HTR1BALDH1A1HSD17B10TDP1HPGD
SCHEMBL822708 0.78 HTR1B (0.46) HTR1BALDH1A1HSD17B10TDP1HPGD
Hydrogen Sulfide SCHEMBL28001728 0.77 HTR1B (0.44) HTR1BALDH1A1HSD17B10TDP1HPGD
SCHEMBL408356 0.75 HTR1B (0.43) HTR1BALDH1A1HSD17B10TDP1HPGD
SCHEMBL442767 0.74 HTR1B (0.54) HTR1BALDH1A1HSD17B10TDP1HPGD
SCHEMBL29577853 0.74 HTR1B (0.54) HTR1BALDH1A1HSD17B10TDP1HPGD
SCHEMBL4289478 0.74 HTR1B (0.59) HTR1BALDH1A1HSD17B10TDP1HPGD
SCHEMBL1306414 0.74 HTR1B (0.42) HTR1BALDH1A1HSD17B10TDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12011490-B2 Dental photocurable composition excellent in operability and storage stability SHOFU INC. (JP) 2024-06-18 US disclosed
CN-113402657-B Photopolymerization initiator containing aryl iodonium salt for dental photocurable composition 株式会社松风 2024-06-11 CN disclosed
EP-3888616-B1 DENTAL PHOTOCURABLE COMPOSITION EXCELLENT IN COLOR TONE SELECTIVITY SHOFU INC (JP) 2024-05-15 EP disclosed
CN-112470551-B Sealing agent for organic electroluminescent display element 电化株式会社 2024-05-14 CN disclosed
CN-113227159-B Composition and method for producing the same 电化株式会社 2024-04-19 CN disclosed
CN-110007557-B Curable composition, film, optical film, light-emitting display element panel, and light-emitting display device 东京应化工业株式会社 2024-04-12 CN disclosed
CN-108957956-B Curable composition, cured product, cured film, display panel, and method for producing cured product 东京应化工业株式会社 2024-04-02 CN disclosed
EP-3881818-B1 DENTAL PHOTOCURABLE COMPOSITIONS COMPRISING PHOTOPOLYMERIZATION INITIATOR COMPRISING AN ARYLIODONIUM SALT SHOFU KK (JP) 2024-03-06 EP disclosed
CN-117510794-A Composition and method for producing the same 电化株式会社 2024-02-06 CN disclosed
US-20240027901-A1 PHOTOACID GENERATOR, AND PHOTOSENSITIVE COMPOSITION USING SAME SAN-APRO LTD. (JP) 2024-01-25 US disclosed
US-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-08-13 US disclosed
US-20090163723-A1 METHOD FOR PRODUCING SULFONIUM FLUORINATED ALKYLFLUOROPHOSPHATE SAN-APRO LIMITED (JP) 2009-06-25 US disclosed
US-20080312191-A1 Novel Urokinase Inhibitors UNIVERSITEIT ANTWERPEN (BE) 2008-12-18 US disclosed
EP-1953139-A1 METHOD FOR PRODUCING FLUORINATED SULFONIUM ALKYLFLUOROPHOSPHATE San-Apro Ltd. (JP) 2008-08-06 EP disclosed
EP-1940856-A1 NOVEL UROKINASE INHIBITORS Universiteit Antwerpen (BE) 2008-07-09 EP disclosed
EP-1911516-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2008-04-16 EP disclosed
US-7312347-B2 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-25 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
WO-2007045496-A1 NOVEL UROKINASE INHIBITORS UNIVERSITEIT ANTWERPEN (BE) 2007-04-26 WO disclosed
US-20070073065-A1 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-03-29 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 (7 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-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst HDHD5, HHAT, HACL2 HTR1B 2298/4885ALDH1A1 1221/4885HSD17B10 88/4885
US-20070142639-A1 Process for production of amines SMS, CCNT1, PEAK1 HTR1B 944/4885ALDH1A1 1001/4885HSD17B10 3582/4885
US-12011490-B2 Dental photocurable composition excellent in operability and storage stability H1-0, CCND1, CCNT1 HTR1B 599/4885ALDH1A1 148/4885HSD17B10 2658/4885
US-20240027901-A1 PHOTOACID GENERATOR, AND PHOTOSENSITIVE COMPOSITION USING SAME ATIC, MAP1LC3C, TYR HTR1B 3771/4885ALDH1A1 1152/4885HSD17B10 4401/4885
US-20090163723-A1 METHOD FOR PRODUCING SULFONIUM FLUORINATED ALKYLFLUOROPHOSPHATE ARSA, SCO2, DOHH HTR1B 3484/4885ALDH1A1 1481/4885HSD17B10 588/4885
US-20080312191-A1 Novel Urokinase Inhibitors PLAU, PLAUR, SERPINE1 HTR1B 4216/4885ALDH1A1 1620/4885HSD17B10 3591/4885
US-20070073065-A1 Substituted optically active disphosphine compound DHPS, DOHH, DHODH HTR1B 2969/4885ALDH1A1 277/4885HSD17B10 655/4885

“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.