SCHEMBL22677183

SCHEMBL22677183

CCCCc1ccc(-c2ccc(C(=O)C(C)C)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 7/20 0.68
▸ ALDH1A1 P00352 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ RARA P10276 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ MTOR P42345 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ PLK1 P53350 1/20 0.54
▸ THRA P10827 5/20 0.53
▸ THRB P10828 5/20 0.53
▸ HPGD P15428 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TRPV1 Q8NER1 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL8902478 0.95 RARB (0.59) RARBALDH1A1MEN1RARAMAPT
SCHEMBL8903662 0.90 RARB (0.60) RARBALDH1A1MEN1RARAMAPT
SCHEMBL8145625 0.90 RARB (0.53) RARBALDH1A1MEN1RARAMAPT
SCHEMBL195471 0.88 THRA (0.61) RARBALDH1A1MEN1RARAMAPT
SCHEMBL9667335 0.88 THRA (0.61) RARBALDH1A1MEN1RARAMAPT
SCHEMBL9667123 0.88 THRA (0.61) RARBALDH1A1MEN1RARAMAPT
SCHEMBL9667265 0.88 THRA (0.61) RARBALDH1A1MEN1RARAMAPT
SCHEMBL9667141 0.88 THRA (0.61) RARBALDH1A1MEN1RARAMAPT
SCHEMBL9668006 0.88 THRA (0.61) RARBALDH1A1MEN1RARAMAPT
SCHEMBL12044522 0.88 THRA (0.61) RARBALDH1A1MEN1RARAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11279733-B2 Peptide antibiotics THE UNIVERSITY OF QUEENSLAND (AU) 2022-03-22 — — US disclosed
US-20200361994-A1 PEPTIDE ANTIBIOTICS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-11-19 — — 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-20200361994-A1 PEPTIDE ANTIBIOTICS NGLY1, VIP, PEPD RARB 4505/4885ALDH1A1 4862/4885MEN1 865/4885
US-11279733-B2 Peptide antibiotics NGLY1, VIP, PEPD RARB 4505/4885ALDH1A1 4862/4885MEN1 865/4885

“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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