SCHEMBL3625528

SCHEMBL3625528

CCC(C)(C)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.48
TYR P14679 1/20 0.48
MAPK1 P28482 1/20 0.44
CASP3 P42574 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
BCHE P06276 5/20 0.42
ACHE P22303 5/20 0.42
TP53 P04637 1/20 0.42
CNR2 P34972 2/20 0.42
KIF11 P52732 1/20 0.41
MAOB P27338 3/20 0.41
HRH3 Q9Y5N1 3/20 0.41

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
SCHEMBL19480532 0.93 KIF11 (0.52) NPC1RAB9AMAPTTSHRLMNA
SCHEMBL779443 0.91 NPC1 (0.58) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL12018261 0.89 NPC1 (0.44) NPC1RAB9AMAPTTSHRLMNA
SCHEMBL14625654 0.89 NPC1 (0.44) NPC1RAB9AMAPTTSHRLMNA
SCHEMBL6026994 0.89 LMNA (0.70) NPC1RAB9AMAPTTSHRLMNA
Tert-Amylbenzene SCHEMBL27817204 0.87 TAAR1 (0.54) NPC1RAB9AMAPTTSHRLMNA
SCHEMBL10123416 0.87 NPC1 (0.43) NPC1RAB9AMAPTTSHRLMNA
SCHEMBL13985235 0.87 MCL1 (0.49) NPC1RAB9AMAPTTSHRLMNA
SCHEMBL25888283 0.87 NPC1 (0.43) NPC1RAB9AMAPTTSHRLMNA
SCHEMBL3292125 0.83 NPC1 (0.52) NPC1RAB9AMAPTLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700232-B2 Comprises an electrolyte salt in a non-aqueous solvent which contains a tert-alkylbenzene compound of high purity; battery improved in safety, excellent in cycle performance and storage performance at a high temperature, improved safety UBE INDUSTRIES, LTD. (JP) 2010-04-20 US claimed
US-20080248399-A1 Comprises an electrolyte salt in a non-aqueous solvent which contains a tert-alkylbenzene compound of high purity; battery improved in safety, excellent in cycle performance and storage performance at a high temperature, improved safety UBE INDUSTRIES, LTD. (JP) 2008-10-09 US claimed
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 US disclosed
US-10355218-B2 Aromatic amine derivatives and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2019-07-16 US disclosed
EP-2692762-B1 ELECTRICALLY CONDUCTIVE COMPOSITION, ELECTRICALLY CONDUCTIVE FILM USING SAID COMPOSITION AND PRODUCTION METHOD THEREFOR FUJIFILM CORP (JP) 2017-09-27 EP disclosed
US-7700232-B2 Comprises an electrolyte salt in a non-aqueous solvent which contains a tert-alkylbenzene compound of high purity; battery improved in safety, excellent in cycle performance and storage performance at a high temperature, improved safety UBE INDUSTRIES, LTD. (JP) 2010-04-20 US disclosed
US-20080248399-A1 Comprises an electrolyte salt in a non-aqueous solvent which contains a tert-alkylbenzene compound of high purity; battery improved in safety, excellent in cycle performance and storage performance at a high temperature, improved safety UBE INDUSTRIES, LTD. (JP) 2008-10-09 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-10355218-B2 Aromatic amine derivatives and organic electroluminescent elements using same RER1, NR4A1, REL NPC1 4526/4885RAB9A 745/4885MAPT 2116/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 NPC1 52/4885RAB9A 2692/4885MAPT 4191/4885

“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.