SCHEMBL7927726

SCHEMBL7927726

CC(C)c1cc(I)cc(I)c1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.78
GABRB1 P18505 5/20 0.78
GABRB2 P47870 3/20 0.78
TTR P02766 2/20 0.64
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
ERN1 O75460 1/20 0.42
GSR P00390 1/20 0.39
FAAH O00519 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 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

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
SCHEMBL1163939 0.88 GABRA1 (1.00) GABRA1GABRB1GABRB2TTRCA1
SCHEMBL22991569 0.84 TTR (0.61) GABRA1GABRB1GABRB2TTRCA1
SCHEMBL4862739 0.80 GABRA1 (0.63) GABRA1GABRB1GABRB2TTRCA1
Triiodophenol SCHEMBL338137 0.80 TTR (1.00) GABRA1GABRB1GABRB2TTRCA1
SCHEMBL26295914 0.79 TTR (0.54) GABRA1GABRB1GABRB2TTRCA1
SCHEMBL22991642 0.79 TTR (0.54) GABRA1GABRB1GABRB2TTRCA1
SCHEMBL21159415 0.79 TTR (0.59) GABRA1GABRB1GABRB2TTRERN1
SCHEMBL24477885 0.78 GABRA1 (0.72) GABRA1GABRB1GABRB2TTRCA1
SCHEMBL26696417 0.78 TTR (0.58) GABRA1GABRB1GABRB2TTRERN1
SCHEMBL817922 0.78 GABRA1 (0.72) GABRA1GABRB1GABRB2TTRCA1

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
US-20210230101-A1 COMPOUNDS FOR TREATING DENGUE VIRUS INFECTIONS AND OTHER INFECTIONS DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-07-29 US disclosed
EP-0707849-B1 USE OF DERIVATIVES OF 2,4-DISUBSTITUTED PHENOLS AS 5-LIPOXIGENASE INHIBITORS BOBEL246 S L (ES) 2001-12-19 EP disclosed
EP-0707849-A1 USE OF DERIVATIVES OF 2,4-BISUBSTITUTED PHENOLS AS 5-LIPOXIGENASE INHIBITORS BOBEL246 S.L. (ES) 1996-04-24 EP disclosed
US-5166171-A Compounds for treatment of artheriosclerosis and hypercholesterolemia HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-24 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-20210230101-A1 COMPOUNDS FOR TREATING DENGUE VIRUS INFECTIONS AND OTHER INFECTIONS EIF2AK2, HAVCR2, MAVS GABRA1 3878/4885GABRB1 3671/4885GABRB2 3657/4885

“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.