Sugi Predict

Sugi Predict / Compounds / SCHEMBL4457749

SCHEMBL4457749

SCHEMBL4457749

CCC(=O)c1cccc(C(C)C)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 4/20 0.55
▸ GABRG2 P18507 2/20 0.55
▸ GABRB3 P28472 2/20 0.55
▸ GABRB2 P47870 2/20 0.55
▸ GABRB1 P18505 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ FAAH O00519 1/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ PTGS1 P23219 1/20 0.55
▸ SLC6A2 P23975 1/20 0.55
▸ HTR2C P28335 1/20 0.55
▸ GABRA5 P31644 1/20 0.55
▸ GABRA3 P34903 1/20 0.55
▸ HTR2B P41595 1/20 0.55
▸ GABRA2 P47869 1/20 0.55

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
SCHEMBL270136 0.85 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL13623381 0.84 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL26908100 0.82 HSP90AB1 (0.36) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL30130617 0.82 HSP90AB1 (0.36) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL19329438 0.81 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL26908055 0.81 HSP90AB1 (0.35) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL30130619 0.81 HSP90AB1 (0.35) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL31123826 0.81 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL8680640 0.81 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL39140 0.79 HPGD (0.61) GABRA1GABRG2GABRB3GABRB2GABRB1

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
CN-105384607-B A kind of cumene amphyl and preparation method thereof 四川海思科制药有限公司 2019-08-16 — — CN disclosed
CN-105384607-A Isopropyl-phenol derivative and preparation method therefor SICHUAN HAISCO PHARMACEUTICAL CO LTD 2016-03-09 — — CN disclosed
US-20120283335-A1 Analogs of Propofol, Preparation Thereof and Use as Anesthetics SIGNATURE THERAPEUTICS, INC. 2012-11-08 — — US disclosed
US-20120283335-A1 Analogs of Propofol, Preparation Thereof and Use as Anesthetics SIGNATURE THERAPEUTICS, INC. 2012-11-08 — — US disclosed
US-20120283335-A1 Analogs of Propofol, Preparation Thereof and Use as Anesthetics SIGNATURE THERAPEUTICS, INC. 2012-11-08 — — US disclosed
WO-2009140275-A1 ANALOGS OF PROPOFOL, PREPARATION THEREOF AND USE AS ANESTHETICS PHARMACOFORE, INC. (US) 2009-11-19 — — WO disclosed
CN-101563318-A N- (5, 6, 7, 8-tetrahydronaphthalen-1-yl) urea derivatives and related compounds as trpv1 vanilloid receptor antagonists for the treatment of pain ABBOTT LAB (US) 2009-10-21 — — CN 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-20120283335-A1 Analogs of Propofol, Preparation Thereof and Use as Anesthetics GABRP, CYP4F11, CYP2F1 GABRA1 14/4885GABRG2 62/4885GABRB3 55/4885

“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.