SCHEMBL963045

SCHEMBL963045

CC1(c2ccccc2)CCCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.42
GRIN1 Q05586 3/20 0.41
GRIN2A Q12879 3/20 0.41
SLC6A4 P31645 2/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
OPRK1 P41145 1/20 0.41
LMNA P02545 1/20 0.41
OPRM1 P35372 1/20 0.41
CACNA1C Q13936 1/20 0.41
AKR1C1 Q04828 1/20 0.41
HDAC4 P56524 2/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL512374 0.94 MEN1 (0.44) MEN1CYP2C9KMT2AOPRK1OPRM1
Formic Acid Methyl Ester SCHEMBL27670593 0.89 GRIN1 (0.35) MEN1CYP2C9KMT2AGRIN1GRIN2A
SCHEMBL5253993 0.81 CCR2 (0.49) KMT2AGRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL8936336 0.78 MAPT (0.46) MEN1CYP2C9KMT2ALMNAALDH1A1
SCHEMBL11308104 0.77 SLC6A4 (0.44) MEN1KMT2AGRIN1GRIN2ASLC6A4
SCHEMBL1944655 0.76 MEN1 (0.45) MEN1CYP2C9KMT2AGRIN1GRIN2A
SCHEMBL5911749 0.76 MEN1 (0.50) MEN1CYP2C9KMT2AOPRK1OPRM1
SCHEMBL19479822 0.75 GRIN1 (0.63) MEN1KMT2AGRIN1GRIN2ASLC6A4
SCHEMBL19992375 0.75 GRIN1 (0.63) MEN1KMT2AGRIN1GRIN2ASLC6A4
SCHEMBL15656775 0.74 HDAC4 (0.44) MEN1CYP2C9KMT2AGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092539-A1 ELECTROCATALYTIC WATER OXIDATION HOMOGENEOUS DIATOMIC CATALYST, AND PREPARATION METHOD THEREFOR AND USE THEREOF DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2025-03-20 US claimed
US-20250092539-A1 ELECTROCATALYTIC WATER OXIDATION HOMOGENEOUS DIATOMIC CATALYST, AND PREPARATION METHOD THEREFOR AND USE THEREOF DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2025-03-20 US disclosed
US-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
EP-4225750-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076629-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076629-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
CN-103097330-A Processes for producing phenol EXXONMOBIL CHEM PATENTS INC 2013-05-08 CN disclosed
WO-2009087127-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 WO disclosed
EP-1656354-B1 TETRAHYDROQUINAZOLINE DERIVATIVES AS CFR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
EP-1656354-B1 TETRAHYDROQUINAZOLINE DERIVATIVES AS CFR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
US-7223767-B2 Tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-29 US disclosed
US-7223767-B2 Tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-29 US disclosed
US-7223767-B2 Tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-29 US disclosed
EP-1656354-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS CFR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050038052-A1 Tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists ROCHE PALO ALTO LLC 2005-02-17 US disclosed
WO-2005014557-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS CFR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO disclosed
US-4187152-A Extractive distillation for separating ketones and/or alcohols from phenol and/or cresol ALLIED CHEMICAL CORPORATION (US) 1980-02-05 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-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B MEN1 4707/4885CYP2C9 4724/4885KMT2A 4643/4885
US-20050038052-A1 Tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists CRHR1, AVPR2, CRHR2 MEN1 438/4885CYP2C9 523/4885KMT2A 2012/4885

“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.