SCHEMBL17435680

SCHEMBL17435680

O=C(O)c1ccc2cc(C#CC3CC3CO)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 9/20 0.43
▸ RARG P13631 8/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ ASIC3 Q9UHC3 1/20 0.36
▸ RARA P10276 5/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PGR P06401 1/20 0.35

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
SCHEMBL19102740 1.00 RARB (0.43) RARBRARGKDM4EASIC3RARA
SCHEMBL17451857 1.00 RARB (0.43) RARBRARGKDM4EASIC3RARA
SCHEMBL17451864 1.00 RARB (0.43) RARBRARGKDM4EASIC3RARA
SCHEMBL17435683 1.00 RARB (0.43) RARBRARGKDM4EASIC3RARA
SCHEMBL13831071 0.86 RARB (0.41) RARBRARGRARACYP3A4TP53
SCHEMBL13739548 0.82 RARB (0.39) RARBRARGRARACYP3A4CYP26A1
SCHEMBL17435747 0.78 BCL2L1 (0.40) —
SCHEMBL17435749 0.78 BCL2L1 (0.40) —
SCHEMBL17451865 0.78 BCL2L1 (0.40) —
SCHEMBL17451863 0.78 BCL2L1 (0.40) —

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-20170369426-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-12-28 — — US disclosed
US-9701622-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-07-11 — — US disclosed
US-20160280639-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-09-29 — — US disclosed
US-9403758-B2 Antibacterial agents ACHAOGEN, INC. (US) 2016-08-02 — — US disclosed
US-20160016895-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-01-21 — — 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 (3 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-20160016895-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS RARB 1720/4885RARG 2107/4885KDM4E 4721/4885
US-20170369426-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS RARB 1720/4885RARG 2107/4885KDM4E 4721/4885
US-20160280639-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS RARB 1720/4885RARG 2107/4885KDM4E 4721/4885

“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.

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