Sugi Predict

Sugi Predict / Compounds / SCHEMBL6236049

SCHEMBL6236049

SCHEMBL6236049

CC(C)(C)c1ccc(C(=O)O)c(C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.41
▸ GLRA3 O75311 1/20 0.39
▸ GLRB P48167 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ HAAO P46952 1/20 0.37
▸ NR1H4 Q96RI1 2/20 0.37
▸ ALOX15 P16050 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ CSNK2A1 P68400 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ SELL P14151 1/20 0.34
▸ SELP P16109 1/20 0.34
▸ SRD5A2 P31213 1/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33

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
SCHEMBL6905613 0.98 CYP1A2 (0.39) CYP1A2GLRA3GLRBTDP1RXRB
SCHEMBL4942021 0.89 CYP1A2 (0.50) CYP1A2TDP1RXRBHAAONR1H4
SCHEMBL332091 0.84 GLRA3 (0.46) CYP1A2GLRA3GLRBTDP1RXRB
SCHEMBL4940867 0.84 GLRA3 (0.46) CYP1A2GLRA3GLRBTDP1RXRB
SCHEMBL4939017 0.84 GLRA3 (0.46) CYP1A2GLRA3GLRBTDP1RXRB
SCHEMBL29094363 0.83 GLRA3 (0.44) CYP1A2GLRA3GLRBTDP1RXRB
SCHEMBL8340705 0.82 GLRA3 (0.44) CYP1A2GLRA3GLRBTDP1RXRB
SCHEMBL9080891 0.82 GLRA3 (0.44) CYP1A2GLRA3GLRBTDP1RXRB
SCHEMBL1406034 0.82 GLRA3 (0.44) CYP1A2GLRA3GLRBTDP1RXRB
SCHEMBL20955847 0.82 CYP1A2 (0.37) CYP1A2GLRA3GLRBTDP1RXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6010975-A Catalyst composition for preparing 3-pentenoic ester from butadiene INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2000-01-04 — — US claimed
EP-1543015-A1 PROCESS FOR THE PREPARATION OF ACID ESTERS CROMPTON CORPORATION (US) 2005-06-22 — — EP disclosed
US-6747167-B2 REACTING A STERICALLY HINDERED PHENOL AND ACID HALIDE (PCL3) IN THE PRESENCE OF AN AMINE, THEN FURTHER REACTING WITH A CYCLIC ACID ACCEPTOR (DBN, DBU, DMAP OR DABCO) FOR AT LEAST A 98% CONVERSION TO THE PHOSPHITE CROMPTON CORPORATION 2004-06-08 — — US disclosed
WO-2004026885-A1 PROCESS FOR THE PREPARATION OF ACID ESTERS GENERAL ELECTRIC COMPANY (US) 2004-04-01 — — WO disclosed
US-20040059151-A1 Process for the preparation of acid esters GENERAL ELECTRIC COMPANY 2004-03-25 — — US disclosed
EP-1060479-A1 SYNDIOTACTIC MONOVINYLIDENE AROMATIC POLYMER FILM THE DOW CHEMICAL COMPANY (US) 2000-12-20 — — EP disclosed
US-6010975-A Catalyst composition for preparing 3-pentenoic ester from butadiene INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2000-01-04 — — US disclosed
WO-1999045547-A1 SYNDIOTACTIC MONOVINYLIDENE AROMATIC POLYMER FILM THE DOW CHEMICAL COMPANY (US) 1999-09-10 — — WO 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-20040059151-A1 Process for the preparation of acid esters HAO2, HAO1, DBF4 CYP1A2 1377/4885GLRA3 3216/4885GLRB 4238/4885

“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.