SCHEMBL6768095

SCHEMBL6768095

CCCOc1ccccc1SC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
TLR8 Q9NR97 1/20 0.40
MCHR1 Q99705 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTR7 P34969 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP2A6 P11509 1/20 0.39
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL18883696 0.90 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HTR2BTLR8
SCHEMBL942882 0.86 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19HTR2CHTR2B
SCHEMBL11847000 0.83 ALDH1A1 (0.52) CYP1A2CYP2C19MEN1KMT2ANPC1
SCHEMBL24495023 0.83 NCF1 (0.44) CYP1A2CYP2C19KMT2AHTR7MAPT
SCHEMBL4314586 0.82 ALDH1A1 (0.45) MEN1KMT2ARAB9AHTR7SLC6A2
SCHEMBL22400198 0.82 HSD17B10 (0.43) KMT2ARAB9AHTR7SLC6A2SLC6A4
SCHEMBL10458625 0.82 KDM4E (0.41) RAB9AHTR7SLC6A2SLC6A4SLC6A3
SCHEMBL7414992 0.82 KDM4E (0.61) CYP1A2CYP2C9CYP2C19RAB9AHTR7
SCHEMBL8876249 0.82 SMN1; SMN2 (0.42) HTR7SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL9323952 0.81 PTGS2 (0.41) CYP1A2CYP2C9CYP2C19KMT2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11175583-B2 Silicon-containing resist underlayer film-forming composition having phenyl group-containing chromophore NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2021-11-16 US disclosed
US-10981894-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2021-04-20 US disclosed
US-10766877-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-09-08 US disclosed
US-10197917-B2 Silicon-containing resists underlayer film-forming composition having phenyl group-containing chromophore NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-02-05 US disclosed
US-20170146906-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION HAVING PHENYL GROUP-CONTAINING CHROMOPHORE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-05-25 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
US-3932498-A ANTIINFLAMMATORY, ANTIPYRETICS, ANALGESICS MERCK & CO., INC. (US) 1976-01-13 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A CYP1A2 450/4885CYP2C9 1298/4885CYP2C19 1228/4885
US-10766877-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R CYP1A2 1383/4885CYP2C9 2713/4885CYP2C19 1504/4885
US-10981894-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R CYP1A2 1383/4885CYP2C9 2713/4885CYP2C19 1504/4885

“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.