SCHEMBL19425317

SCHEMBL19425317

O=C(/C=C/C1CC2(CCCCCCCC2)CO1)Nc1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ MEN1 O00255 7/20 0.41
▸ KMT2A Q03164 7/20 0.41
▸ MAPT P10636 4/20 0.41
▸ LMNA P02545 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ HTR1E P28566 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ RECQL P46063 2/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.38

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
SCHEMBL20705573 0.78 MEN1 (0.46) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL18598053 0.78 ALDH1A1 (0.45) ALDH1A1USP2HPGDNPC1RAB9A
SCHEMBL20272283 0.78 ALDH1A1 (0.45) ALDH1A1USP2HPGDNPC1RAB9A
SCHEMBL20272262 0.75 EPHX1 (0.45) ALDH1A1USP2HPGDNPC1RAB9A
SCHEMBL21515098 0.67 LPAR2 (0.67) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13381356 0.67 LPAR2 (0.67) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL11586886 0.67 LPAR2 (0.67) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL18467672 0.65 ALDH1A1 (0.46) ALDH1A1USP2HPGDNPC1RAB9A
SCHEMBL15309134 0.64 RAB9A (0.59) ALDH1A1USP2NPC1RAB9ASMN1; SMN2
SCHEMBL1380888 0.64 FYN (0.62) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2

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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 — — 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 ALDH1A1 545/4885USP2 1179/4885HPGD 268/4885

“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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