SCHEMBL6131382

SCHEMBL6131382

CCC(C)c1ccccc1O.Cc1cccc(C)c1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.75
ALDH1A1 P00352 3/20 0.50
TRPA1 O75762 2/20 0.50
GABRA1 P14867 4/20 0.48
GABRB2 P47870 4/20 0.48
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
RORC P51449 1/20 0.41
HPGD P15428 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 2/20 0.41
FAAH O00519 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 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
SCHEMBL771406 0.87 TSHR (0.59) TSHRALDH1A1TRPA1GABRA1GABRB2
SCHEMBL282162 0.87 TSHR (1.00) TSHRALDH1A1TRPA1GABRA1GABRB2
SCHEMBL15485172 0.87 TSHR (1.00) TSHRALDH1A1TRPA1GABRA1GABRB2
SCHEMBL20721726 0.87 TSHR (1.00) TSHRALDH1A1TRPA1GABRA1GABRB2
Ammonia Solution, Strong SCHEMBL27764945 0.85 TSHR (0.95) TSHRALDH1A1GABRA1GABRB2HDAC4
SCHEMBL29178964 0.85 TSHR (0.95) TSHRALDH1A1GABRA1GABRB2HDAC4
Benzene SCHEMBL1836843 0.85 TSHR (0.95) TSHRALDH1A1TRPA1GABRA1GABRB2
SCHEMBL27887359 0.85 TSHR (0.95) TSHRALDH1A1GABRA1GABRB2HDAC4
Hydrochloric Acid SCHEMBL7075092 0.85 TSHR (0.95) TSHRALDH1A1GABRA1GABRB2HDAC4
Hydrochloric Acid SCHEMBL6040007 0.83 TSHR (0.91) TSHRALDH1A1GABRA1GABRB2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100584812-C Process for manufacture of bisphenols GEN ELECTRIC 2010-01-27 CN disclosed
CN-1745053-A Process for producing bisphenols GEN ELECTRIC (US) 2006-03-08 CN disclosed
US-6858759-B2 Adding a combined stream of a feed stream and a recycle stream into a reactor system containing an acid catalyst, wherein the combined feed stream of a carbonyl compound and a stoichiometric excess of phenol; industrial efficiency GENERAL ELECTRIC COMPANY (US) 2005-02-22 US disclosed
US-20040143142-A1 Process for manufacture of bisphenols SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2004-07-22 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 (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-20040143142-A1 Process for manufacture of bisphenols REN, ADH1C, ALPP TSHR 3014/4885ALDH1A1 611/4885TRPA1 1692/4885

“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.