SCHEMBL798808

SCHEMBL798808

Cc1c(CBr)ccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
CYP2A6 P11509 3/20 0.54
CYP1A2 P05177 2/20 0.54
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
HIF1A Q16665 2/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
RAB9A P51151 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NCEH1 Q6PIU2 1/20 0.41
HPRT1 P00492 1/20 0.41
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP1B1 Q16678 1/20 0.38

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
SCHEMBL1096216 0.81 TSHR (0.56) TSHRCYP2A6CYP1A2HSD17B10ALDH1A1
SCHEMBL607363 0.81 TSHR (0.56) TSHRCYP2A6CYP1A2HSD17B10ALDH1A1
SCHEMBL6547337 0.80 TSHR (0.50) TSHRCYP2A6CYP1A2HSD17B10ALDH1A1
SCHEMBL6244662 0.79 CYP2A6 (0.54) TSHRCYP2A6CYP1A2HSD17B10ALDH1A1
SCHEMBL17956320 0.79 TSHR (0.54) TSHRCYP2A6CYP1A2HSD17B10ALDH1A1
SCHEMBL13065801 0.79 TSHR (0.54) TSHRCYP2A6CYP1A2HSD17B10ALDH1A1
SCHEMBL6445510 0.79 TSHR (0.54) TSHRCYP2A6CYP1A2HSD17B10ALDH1A1
SCHEMBL30066580 0.78 ALDH1A1 (0.48) TSHRCYP2A6CYP1A2HSD17B10ALDH1A1
SCHEMBL5691676 0.78 ALDH1A1 (0.48) TSHRCYP2A6CYP1A2HSD17B10ALDH1A1
SCHEMBL5252480 0.78 TSHR (0.52) TSHRCYP2A6CYP1A2HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118860-A1 Supported Catalyst Systems and Processes for Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2018-05-03 US disclosed
US-20180086859-A1 Supported Catalyst Systems and Processes for Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2018-03-29 US disclosed
US-20180079845-A1 Multimodal and Broad Molecular Weight High Density Polyethylene EXXONMOBIL CHEMICAL PATENTS INC. 2018-03-22 US disclosed
US-9102773-B2 Process for controlling molecular weight of polyolefins prepared using pyridyl diamide catalyst systems EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-08-11 US disclosed
US-9067905-B2 Sulphone compounds and methods of making and using same ZAFGEN, INC. (US) 2015-06-30 US disclosed
US-20140221587-A1 Process for Controlling Molecular Weight of Polyolefins Prepared Using Pyridyl Diamide Catalyst Systems EXXONMOBIL CHEMICAL PATENTS INC. 2014-08-07 US disclosed
US-8710163-B2 Pyridyldiamido transition metal complexes, production and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-04-29 US disclosed
US-8674040-B2 Pyridyldiamido transition metal complexes, production and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-03-18 US disclosed
US-8394902-B2 Pyridyldiamido transition metal complexes, production and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-03-12 US disclosed
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-02-28 US disclosed
EP-2486004-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME Zafgen Corporation (US) 2012-08-15 EP disclosed
US-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-19 US disclosed
US-20120071616-A1 Pyridyldiamido Transition Metal Complexes, Production And Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2012-03-22 US disclosed
US-20110301310-A1 Pyridyldiamido Transition Metal Complexes, Production And Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-12-08 US disclosed
US-20110224391-A1 Pyridyldiamido Transition Metal Complexes, Production and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-09-15 US disclosed
WO-2011044506-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2011-04-14 WO disclosed
EP-0393941-A1 Naphthalene derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-24 EP disclosed
US-4897405-A Novel naphthalenylalkyl-3H-1,2,3,5-oxathiadiazole 2-oxides useful as antihyperglycemic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1990-01-30 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-20180086859-A1 Supported Catalyst Systems and Processes for Use Thereof PARG, PUF60, SCO2 TSHR 4771/4885CYP2A6 3268/4885CYP1A2 2409/4885
US-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER HTR4, HTR1A, HTR3B TSHR 2595/4885CYP2A6 174/4885CYP1A2 98/4885
US-20110301310-A1 Pyridyldiamido Transition Metal Complexes, Production And Use Thereof PNPO, PLPBP, PDXK TSHR 4158/4885CYP2A6 1415/4885CYP1A2 724/4885
US-20110224391-A1 Pyridyldiamido Transition Metal Complexes, Production and Use Thereof PICALM, PARN, PCBP1 TSHR 4582/4885CYP2A6 2934/4885CYP1A2 2370/4885
US-20120071616-A1 Pyridyldiamido Transition Metal Complexes, Production And Use Thereof PNPO, PLPBP, PDXK TSHR 4158/4885CYP2A6 1415/4885CYP1A2 724/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS TSHR 3569/4885CYP2A6 284/4885CYP1A2 300/4885

“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.