SCHEMBL12401757

SCHEMBL12401757

CC(C)(C)c1cc(Cl)cc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.40
ALDH1A1 P00352 3/20 0.37
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KIF11 P52732 1/20 0.34
GPR84 Q9NQS5 2/20 0.33
HPGD P15428 1/20 0.33
TRPM4 Q8TD43 1/20 0.33
ACP3 P15309 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL29720476 1.00 CYP2A6 (0.40) CYP2A6ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL28771103 0.80 CYP1A2 (0.41) CYP2A6ALDH1A1CYP1B1CYP1A2KIF11
SCHEMBL26522360 0.78 CYP2A6 (0.43) CYP2A6ALDH1A1CYP1A2TSHRTDP1
Bromide SCHEMBL21461363 0.78 ALDH1A1 (0.35) CYP2A6ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL18053304 0.78 PGR (0.47) CYP1B1CYP1A2ESR2
SCHEMBL24712674 0.78 CYP1A2 (0.57) CYP2A6ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL26579482 0.78 CYP1A2 (0.39) CYP2A6ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL15853141 0.78 CYP1A2 (0.41) CYP2A6ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL17030753 0.76 ALDH1A1 (0.40) CYP2A6ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL2454488 0.76 CYP2A6 (0.40) CYP2A6ALDH1A1HIF1ACYP1B1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117756598-A Preparation method of 1- (tertiary butyl) -3-chloronaphthalene 中钢集团南京新材料研究院有限公司 2024-03-26 CN claimed
CN-114736099-B Preparation method of 1- (tertiary butyl) -3-chloronaphthalene 江苏南大光电材料股份有限公司 2023-06-06 CN claimed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
CN-117756598-A Preparation method of 1- (tertiary butyl) -3-chloronaphthalene 中钢集团南京新材料研究院有限公司 2024-03-26 CN disclosed
CN-117756598-A Preparation method of 1- (tertiary butyl) -3-chloronaphthalene 中钢集团南京新材料研究院有限公司 2024-03-26 CN disclosed
CN-117756598-A Preparation method of 1- (tertiary butyl) -3-chloronaphthalene 中钢集团南京新材料研究院有限公司 2024-03-26 CN disclosed
WO-2023221165-A1 METHOD FOR PREPARING 1-(TERT-BUTYL)-3-CHLORONAPHTHALENE 江苏南大光电材料股份有限公司 2023-11-23 WO disclosed
WO-2023221165-A1 METHOD FOR PREPARING 1-(TERT-BUTYL)-3-CHLORONAPHTHALENE 江苏南大光电材料股份有限公司 2023-11-23 WO disclosed
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
EP-3301088-B1 CONDENSED PYRIDINES AS ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2023-08-30 EP disclosed
CN-114736099-B Preparation method of 1- (tertiary butyl) -3-chloronaphthalene 江苏南大光电材料股份有限公司 2023-06-06 CN disclosed
US-20180097179-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2018-04-05 US disclosed
US-20180097179-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2018-04-05 US disclosed
US-20180097187-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2018-04-05 US disclosed
EP-3301088-A1 CONDENSED PYRIDINES AS ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2018-04-04 EP disclosed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 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 (6 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-20180097187-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, OSBP CYP2A6 3152/4885ALDH1A1 1035/4885HIF1A 4823/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 CYP2A6 2321/4885ALDH1A1 3778/4885HIF1A 4147/4885
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS KRAS, NRAS, HRAS CYP2A6 4169/4885ALDH1A1 3193/4885HIF1A 3403/4885
US-20180097179-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, OSBP CYP2A6 3357/4885ALDH1A1 994/4885HIF1A 4736/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 CYP2A6 895/4885ALDH1A1 1255/4885HIF1A 3923/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 CYP2A6 4656/4885ALDH1A1 4709/4885HIF1A 4679/4885

“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.