SCHEMBL994607

SCHEMBL994607

CCC(C)c1ccccc1C(C)CC

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.73
GABRA1 P14867 2/20 0.46
GABRB2 P47870 1/20 0.46
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RORC P51449 1/20 0.42
ATM Q13315 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
HTT P42858 2/20 0.40
TRPA1 O75762 1/20 0.39
TAAR1 Q96RJ0 2/20 0.39
LMNA P02545 1/20 0.39
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37

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
Hydrogen Peroxide SCHEMBL3675725 0.95 TSHR (0.74) TSHRGABRA1GABRB2KDM4EL3MBTL1
SCHEMBL6682973 0.92 TSHR (0.64) TSHRGABRA1GABRB2KDM4EL3MBTL1
SCHEMBL9621456 0.92 TSHR (0.64) TSHRGABRA1GABRB2KDM4EL3MBTL1
SCHEMBL27826854 0.90 TSHR (0.61) TSHRGABRA1GABRB2KDM4EL3MBTL1
SCHEMBL14341530 0.88 TSHR (0.65) TSHRGABRA1GABRB2KDM4EL3MBTL1
SCHEMBL10246803 0.88 TSHR (0.59) TSHRGABRA1GABRB2KDM4EL3MBTL1
SCHEMBL8731749 0.87 TSHR (0.64) TSHRGABRA1GABRB2KDM4EL3MBTL1
SCHEMBL944816 0.87 TSHR (0.64) TSHRGABRA1GABRB2KDM4EL3MBTL1
Phosphoric Acid SCHEMBL27503648 0.86 TSHR (0.63) TSHRGABRA1GABRB2KDM4ERORC
SCHEMBL395853 0.85 TSHR (0.61) TSHRGABRA1GABRB2KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122057450-A Preparation method of multifunctional composite aerogel with hierarchical heterostructure 南京工业大学 2026-05-19 CN claimed
CN-106232670-A Polyurethane foams based on polyether carbonate polyols 科思创德国股份有限公司 2016-12-14 CN claimed
US-9067854-B2 Dealkylation process EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-06-30 US claimed
US-20140371499-A1 Dealkylation Process EXXONMOBIL CHEMICAL PATENTS INC. 2014-12-18 US claimed
US-20120310024-A1 Dealkylation Process EXXONMOBIL CHEMICAL PATENTS INC. 2012-12-06 US claimed
WO-2011115704-A1 DEALKYLATION PROCESS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-09-22 WO claimed
US-7868218-B2 Alkylaromatics production EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-01-11 US claimed
US-20100249472-A1 Alkylaromatics Production EXXONMOBIL CHEMICAL PATENTS INC. 2010-09-30 US claimed
US-7772448-B2 Alkylaromatics production BADGER LICENSING LLC (US) 2010-08-10 US claimed
US-7413849-B2 Substituted benzene developing solvent for photopolymerizable printing plates NUPRO TECHNOLOGIES (US) 2008-08-19 US claimed
US-20060057498-A1 Substituted benzene developing solvent for photopolymerizable printing plates EASTMAN KODAK COMPANY 2006-03-16 US claimed
EP-0475687-B1 Catalytic process for production of sec-butylbenzene SUMITOMO CHEMICAL CO (JP) 1994-12-14 EP claimed
EP-0395360-B1 Process for production of sec-butylbenzene SUMITOMO CHEMICAL CO (JP) 1994-03-16 EP claimed
US-5191136-A PROCESS FOR PRODUCTION OF SEC-BUTYLBENZENE SUMITOMO CHEMICAL CO., LTD. (JP) 1993-03-02 US claimed
US-5059736-A Butylating benzene using liquid aluminum chloride catalyst; decreased isobutylene formation; chemical intermediate SUMITOMO CHEMICAL CO., LTD. (JP) 1991-10-22 US claimed
US-3952037-A Aluminum catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-04-20 US claimed
CN-122057450-A Preparation method of multifunctional composite aerogel with hierarchical heterostructure 南京工业大学 2026-05-19 CN disclosed
CN-105814179-B Organosiloxane composition 美国陶氏有机硅公司 2019-11-05 CN disclosed
US-3952037-A Aluminum catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-04-20 US disclosed
US-3932528-A STABILIZATION WITH A NITROGEN BASE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 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 (2 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-20120310024-A1 Dealkylation Process PAH, DDC, HPD TSHR 2949/4885GABRA1 761/4885GABRB2 177/4885
US-20140371499-A1 Dealkylation Process PAH, DDC, HPD TSHR 2949/4885GABRA1 761/4885GABRB2 177/4885

“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.