SCHEMBL4907203

SCHEMBL4907203

CCC(C)c1cccc(I)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
GABRA1 P14867 5/20 0.43
GABRB2 P47870 4/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
HPGD P15428 2/20 0.43
FAAH O00519 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
HTR2B P41595 1/20 0.43
GABRA2 P47869 1/20 0.43

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
SCHEMBL202738 0.86 TSHR (0.68) TSHRGABRA1GABRB2GABRG2GABRB3
SCHEMBL561299 0.86 TSHR (0.68) TSHRGABRA1GABRB2GABRG2GABRB3
SCHEMBL560346 0.86 TSHR (0.68) TSHRGABRA1GABRB2GABRG2GABRB3
SCHEMBL560318 0.86 TSHR (0.68) TSHRGABRA1GABRB2GABRG2GABRB3
Hydrochloric Acid SCHEMBL7076051 0.84 TSHR (0.65) TSHRGABRA1GABRB2GABRG2GABRB3
Hydrochloric Acid SCHEMBL6039756 0.82 TSHR (0.63) TSHRGABRA1GABRB2GABRG2GABRB3
SCHEMBL248963 0.80 GABRA1 (0.71) TSHRGABRA1GABRB2GABRG2GABRB3
SCHEMBL249795 0.80 GABRA1 (0.71) TSHRGABRA1GABRB2GABRG2GABRB3
SCHEMBL249198 0.80 GABRA1 (0.71) TSHRGABRA1GABRB2GABRG2GABRB3
SCHEMBL2784586 0.80 TSHR (0.73) TSHRGABRA1GABRB2GABRG2GABRB3

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-11774853-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-03 US disclosed
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 1138/4885GABRA1 3412/4885GABRB2 4004/4885
US-20080312339-A1 FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES AFF4, AFF1, AFF2 TSHR 1138/4885GABRA1 3412/4885GABRB2 4004/4885

“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.