SCHEMBL19795885

SCHEMBL19795885

CCCCC(CC)COC(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.70
▸ LMNA P02545 5/20 0.70
▸ CYP3A4 P08684 4/20 0.70
▸ HSD17B10 Q99714 1/20 0.70
▸ TSHR P16473 5/20 0.66
▸ MAPK1 P28482 4/20 0.66
▸ CA2 P00918 1/20 0.62
▸ PRSS1 P07477 1/20 0.56
▸ PRSS2 P07478 1/20 0.56
▸ PRSS3 P35030 1/20 0.56
▸ TDP1 Q9NUW8 2/20 0.50
▸ ATM Q13315 1/20 0.50
▸ MAPT P10636 2/20 0.48
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL29714768 0.91 ALDH1A1 (0.81) ALDH1A1LMNACYP3A4HSD17B10TSHR
SCHEMBL29832337 0.91 ALDH1A1 (0.81) ALDH1A1LMNACYP3A4HSD17B10TSHR
SCHEMBL29932757 0.91 ALDH1A1 (0.81) ALDH1A1LMNACYP3A4HSD17B10TSHR
SCHEMBL110764 0.91 ALDH1A1 (0.81) ALDH1A1LMNACYP3A4HSD17B10TSHR
SCHEMBL10349490 0.90 ALDH1A1 (0.68) ALDH1A1LMNACYP3A4HSD17B10TSHR
SCHEMBL30392171 0.90 ALDH1A1 (0.79) ALDH1A1LMNACYP3A4HSD17B10TSHR
SCHEMBL19758999 0.89 ALDH1A1 (0.73) ALDH1A1LMNACYP3A4HSD17B10TSHR
SCHEMBL20924147 0.88 ALDH1A1 (0.77) ALDH1A1LMNACYP3A4HSD17B10TSHR
SCHEMBL20961813 0.88 ALDH1A1 (0.65) ALDH1A1LMNACYP3A4HSD17B10TSHR
SCHEMBL28777743 0.88 ALDH1A1 (0.68) ALDH1A1LMNACYP3A4HSD17B10TSHR

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-20180022693-A1 COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2018-01-25 — — US disclosed
US-20180022693-A1 COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2018-01-25 — — 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-20180022693-A1 COMPOUNDS ERCC4, NQO1, ERCC5 ALDH1A1 981/4885LMNA 2017/4885CYP3A4 235/4885

“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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