SCHEMBL23787698

SCHEMBL23787698

CC(=CCCC(C)=CCCC(C)=CCP(=O)(O)O)CO

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 4/20 0.62
GGPS1 O95749 2/20 0.47
FNTA P49354 2/20 0.46
FNTB P49356 2/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
UGT1A1 P22309 1/20 0.45
KMT2A Q03164 1/20 0.45
PGGT1B P53609 1/20 0.45

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
SCHEMBL4461665 0.86 KMT2A (0.64) GGPS1FNTAFNTBKMT2APGGT1B
SCHEMBL14151883 0.83 GGPS1 (0.61) GGPS1FNTAFNTBKMT2A
SCHEMBL14151882 0.83 GGPS1 (0.61) GGPS1FNTAFNTBKMT2A
SCHEMBL5373407 0.77 KMT2A (0.50) BTN3A1FNTAFNTBMAPTALDH1A1
SCHEMBL10002547 0.77 BTN3A1 (1.00) BTN3A1FNTAFNTB
SCHEMBL11021028 0.77 KMT2A (0.50) BTN3A1FNTAFNTBMAPTALDH1A1
SCHEMBL23924906 0.77 KMT2A (0.50) BTN3A1FNTAFNTBMAPTALDH1A1
SCHEMBL24835115 0.77 BTN3A1 (1.00) BTN3A1FNTAFNTB
SCHEMBL23925025 0.77 KMT2A (0.50) BTN3A1FNTAFNTBMAPTALDH1A1
SCHEMBL25220642 0.77 KMT2A (0.50) BTN3A1FNTAFNTBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11116774-B2 Modulators of toll-like receptors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-09-14 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-11116774-B2 Modulators of toll-like receptors for the treatment of HIV TLR7, TLR3, TLR6 BTN3A1 4435/4885GGPS1 3304/4885FNTA 3930/4885

“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.