SCHEMBL7064652

SCHEMBL7064652

CCc1cccc(CC(C)C)c1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.83
GABRB2 P47870 5/20 0.83
ELANE P08246 2/20 0.47
CTSG P08311 1/20 0.47
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
IAPP P10997 2/20 0.37
TSHR P16473 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA2 P47869 2/20 0.37
FAAH O00519 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
GABRB1 P18505 1/20 0.37
PTGS1 P23219 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
SCHEMBL864085 0.91 GABRA1 (1.00) GABRA1GABRB2ELANECTSGTSHR
SCHEMBL199730 0.84 GABRA1 (1.00) GABRA1GABRB2IAPPCA2
SCHEMBL7064682 0.84 GABRA1 (0.77) GABRA1GABRB2ELANECTSGIAPP
SCHEMBL9325688 0.84 GABRA1 (0.65) GABRA1GABRB2ELANECTSGALOX15
SCHEMBL14551465 0.83 GABRA1 (0.83) GABRA1GABRB2ELANECTSGTSHR
SCHEMBL14995226 0.81 GABRA1 (0.79) GABRA1GABRB2ELANECTSGTSHR
SCHEMBL1053654 0.81 GABRA1 (0.79) GABRA1GABRB2ELANECTSGALOX15
SCHEMBL9348414 0.80 GABRA1 (0.65) GABRA1GABRB2IAPP
Water SCHEMBL28947715 0.80 GABRA1 (0.90) GABRA1GABRB2IAPPLMNA
Alcohol SCHEMBL28268569 0.80 GABRA1 (0.90) GABRA1GABRB2IAPPLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2023-04-20 US disclosed
WO-2021211982-A2 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2021-10-21 WO disclosed
EP-0995737-B1 Process for producing 3,3,5-trimethylcyclohexylidenebisphenols HONSHU CHEMICAL IND (JP) 2003-06-04 EP disclosed
US-6284931-B1 REACTION OF 3,3,5-TRIMETHYLCYCLOHEXANONE AND PHENOL TO FORM DIPHENOL DERIVATIVE HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2001-09-04 US disclosed
EP-0995737-A1 Process for producing 3,3,5-trimethylcyclohexylidenebisphenols Honshu Chemical Industry Co. Ltd. (JP) 2000-04-26 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 (1 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-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS CYP2B6, TYR, CYP2D6 GABRA1 1620/4885GABRB2 1511/4885ELANE 942/4885

“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.