Sugi Predict

Sugi Predict / Compounds / SCHEMBL4912786

SCHEMBL4912786

SCHEMBL4912786

CCC(C)c1cccc(C(F)(F)F)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.52
▸ P2RX7 Q99572 1/20 0.44
▸ RORC P51449 1/20 0.40
▸ GABRA1 P14867 4/20 0.39
▸ GABRB2 P47870 4/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ FAAH O00519 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39

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
SCHEMBL4912756 0.87 TSHR (0.49) TSHRP2RX7RORCGABRA1GABRB2
SCHEMBL10553075 0.84 CA2 (0.55) TSHRRORCGABRA1GABRB2CA2
SCHEMBL4912772 0.84 TSHR (0.46) TSHRP2RX7RORCGABRA1GABRB2
SCHEMBL30270585 0.82 TSHR (0.53) TSHRP2RX7RORCPOLBMAPK1
SCHEMBL10120401 0.82 TSHR (0.53) TSHRP2RX7RORCPOLBMAPK1
SCHEMBL4912818 0.82 GABRA1 (0.61) TSHRP2RX7GABRA1GABRB2CA2
SCHEMBL9861980 0.82 EPHX2 (0.39) P2RX7
SCHEMBL561299 0.81 TSHR (0.68) TSHRRORCGABRA1GABRB2CA2
SCHEMBL202738 0.81 TSHR (0.68) TSHRRORCGABRA1GABRB2CA2
SCHEMBL560318 0.81 TSHR (0.68) TSHRRORCGABRA1GABRB2CA2

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
US-20080312339-A1 FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES BAKER MAX T 2008-12-18 — — US claimed
WO-2003077894-A1 FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2003-09-25 — — WO claimed
US-20030176513-A1 Fluorine-substituted alkyl phenol compounds and their uses IOWA RESEARCH FOUNDATION, UNIVERSITY OF 2003-09-18 — — US claimed
US-20080312339-A1 FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES BAKER MAX T 2008-12-18 — — US disclosed
US-7312250-B2 Fluorine-substituted alkyl phenol compounds and their uses UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2007-12-25 — — US disclosed
WO-2003077894-A1 FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2003-09-25 — — WO disclosed
US-20030176513-A1 Fluorine-substituted alkyl phenol compounds and their uses IOWA RESEARCH FOUNDATION, UNIVERSITY OF 2003-09-18 — — 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-20030176513-A1 Fluorine-substituted alkyl phenol compounds and their uses AFF4, AFF1, AFF2 TSHR 1138/4885P2RX7 1848/4885RORC 278/4885
US-20080312339-A1 FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES AFF4, AFF1, AFF2 TSHR 1138/4885P2RX7 1848/4885RORC 278/4885

“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.