SCHEMBL3665211

SCHEMBL3665211

[CH]c1ccc(C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
LMNA P02545 1/20 0.52
TYR P14679 1/20 0.52
ALDH1A1 P00352 4/20 0.48
KIF11 P52732 2/20 0.44
HPGD P15428 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HDAC1 Q13547 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
SLC22A3 O75751 1/20 0.41
BCHE P06276 4/20 0.40
ACHE P22303 4/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SRD5A2 P31213 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
SCHEMBL424728 0.83 TSHR (0.73) TSHRLMNATYRALDH1A1KIF11
SCHEMBL16241997 0.75 TSHR (0.55) TSHRLMNATYRALDH1A1KIF11
SCHEMBL17923896 0.73 TSHR (0.61) TSHRLMNATYRALDH1A1KIF11
SCHEMBL26915 0.73 KIF11 (0.70) TSHRLMNATYRALDH1A1KIF11
SCHEMBL3423876 0.73 KIF11 (0.70) TSHRLMNATYRALDH1A1KIF11
SCHEMBL1538330 0.73 TSHR (0.61) TSHRLMNATYRALDH1A1KIF11
SCHEMBL1367705 0.73 ESR1 (0.60) TSHRALDH1A1HPGDMAPK1ALOX15
SCHEMBL1931781 0.71 KIF11 (0.67) TSHRLMNATYRALDH1A1KIF11
SCHEMBL11210257 0.71 TSHR (0.58) TSHRLMNATYRALDH1A1KIF11
SCHEMBL5495871 0.71 TSHR (1.00) TSHRLMNATYRALDH1A1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281046-A1 Cyclopropanated Carbohydrates SETON HALL UNIVERSITY 2009-11-12 US claimed
WO-2009120390-A2 CYCLOPROPANATED CARBOHYDRATES SETON HALL UNIVERSITY (US) 2009-10-01 WO claimed
EP-1196464-B9 BRIDGED METALLOCENES FOR OLEFIN COPOLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2005-03-23 EP claimed
EP-1196464-B1 BRIDGED METALLOCENES FOR OLEFIN COPOLYMERIZATION EXXON CHEMICAL PATENTS INC (US) 2004-12-08 EP claimed
US-6506857-B2 Di(p-trimethylsilyl-phenyl) methylene (cyclopentadienyl) (fluorenyl) hafnium dimethyl, for example; ethylene solution polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2003-01-14 US claimed
US-20020137959-A1 Bridged metallocenes for olefin copolymerization RIX FRANCIS C (US) 2002-09-26 US claimed
EP-1196464-A1 BRIDGED METALLOCENES FOR OLEFIN COPOLYMERIZATION Exxon Chemical Patents, Inc. (US) 2002-04-17 EP claimed
WO-2000024793-A1 BRIDGED METALLOCENES FOR OLEFIN COPOLYMERIZATION EXXON CHEMICAL PATENTS INC. (US) 2000-05-04 WO claimed
EP-0045429-B1 PROCESS FOR THE PREPARATION OF 4-TERT. BUTYLBENZALDEHYDES BAYER AG (DE) 1983-08-31 EP claimed
EP-0034837-B1 P-TERT.-BUTYLBENZAL BROMIDE AND ITS DERIVATIVES SUBSTITUTED IN THE NUCLEUS BY HALOGEN HOECHST AKTIENGESELLSCHAFT (DE) 1982-12-15 EP claimed
EP-0011281-B1 PROCESS FOR THE PREPARATION OF P-TERT.-BUTYL BENZALDEHYDE AND THE DERIVATIVES THEREOF SUBSTITUTED IN THE NUCLEUS BY HALOGEN. HOECHST AKTIENGESELLSCHAFT (DE) 1982-02-10 EP claimed
CN-112703210-B Preparation of bimodal rubbers, thermoplastic vulcanizates, and articles made therefrom 埃克森美孚化学专利公司 2022-10-28 CN disclosed
CN-113166519-A Blends of cyclic olefin copolymers and films made therefrom 埃克森美孚化学专利公司 2021-07-23 CN disclosed
CN-108794675-B Process for the preparation of ethylene propylene copolymers 埃克森美孚化学专利公司 2020-12-29 CN disclosed
EP-3119817-B1 PROCESS TO PRODUCE ETHYLENE PROPYLENE COPOLYMERS EXXONMOBIL CHEMICAL PATENTS INC (US) 2020-09-30 EP disclosed
EP-0045429-A2 Process for the preparation of 4-tert. butylbenzaldehydes BAYER AG (DE) 1982-02-10 EP disclosed
EP-0012942-B1 ELECTROLYTIC PROCESS FOR PRODUCING BENZALDEHYDES BASF Aktiengesellschaft (DE) 1982-01-27 EP disclosed
EP-0034837-A1 P-tert.-butylbenzal bromide and its derivatives substituted in the nucleus by halogen HOECHST AKTIENGESELLSCHAFT (DE) 1981-09-02 EP disclosed
EP-0034837-A1 P-tert.-butylbenzal bromide and its derivatives substituted in the nucleus by halogen HOECHST AKTIENGESELLSCHAFT (DE) 1981-09-02 EP disclosed
EP-0011281-A2 Process for the preparation of p-tert.-butyl benzaldehyde and the derivatives thereof substituted in the nucleus by halogen. HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-28 EP 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-20090281046-A1 Cyclopropanated Carbohydrates GYS2, PYGB, CSGALNACT1 TSHR 2545/4885LMNA 3369/4885TYR 1749/4885
US-20020137959-A1 Bridged metallocenes for olefin copolymerization ERBB4, ERBB3, ERBB2 TSHR 4790/4885LMNA 4354/4885TYR 3281/4885

“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.