SCHEMBL18325699

SCHEMBL18325699

Cc1nn(CC(=O)O)c2c1CC1(CC2)OCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ LMNA P02545 3/20 0.39
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GABRP O00591 5/20 0.34
▸ GABRD O14764 5/20 0.34
▸ GABRA1 P14867 5/20 0.34
▸ GABRB1 P18505 5/20 0.34
▸ GABRG2 P18507 5/20 0.34
▸ GABRB3 P28472 5/20 0.34
▸ GABRA5 P31644 5/20 0.34
▸ GABRA3 P34903 5/20 0.34
▸ GABRA2 P47869 5/20 0.34
▸ GABRB2 P47870 5/20 0.34
▸ GABRA4 P48169 5/20 0.34
▸ GABRE P78334 5/20 0.34
▸ GABRA6 Q16445 5/20 0.34
▸ GABRG1 Q8N1C3 5/20 0.34

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
SCHEMBL18325701 0.88 GABRP (0.35) ALDH1A1LMNAGAATSHRSMN1; SMN2
SCHEMBL14555805 0.81 LMNA (0.39) ALDH1A1LMNATSHRNPSR1KDM4E
SCHEMBL15708707 0.81 LMNA (0.60) ALDH1A1LMNAGAATSHRNPSR1
SCHEMBL21562972 0.81 GABRP (0.34) ALDH1A1GAANPSR1GABRPGABRD
SCHEMBL18328262 0.73 LMNA (0.44) ALDH1A1LMNAGAATSHRNPSR1
SCHEMBL18209764 0.72 PTPN1 (0.36) ALDH1A1TSHRGABRPGABRDGABRA1
SCHEMBL23646937 0.72 MAPK1 (0.38) ALDH1A1LMNANPSR1SMN1; SMN2GABRP
SCHEMBL18209727 0.69 GABRP (0.41) ALDH1A1NPSR1GABRPGABRDGABRA1
SCHEMBL17338781 0.68 PDE4D (0.30) —
SCHEMBL18325696 0.65 ALDH1A1 (0.44) ALDH1A1LMNAGAATSHRNPSR1

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-20160368881-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-12-22 — — 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-20160368881-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 ALDH1A1 429/4885LMNA 3258/4885GAA 24/4885

“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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