SCHEMBL21755917

SCHEMBL21755917

CCC(C)(C)C1=C(C)CCCC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.34
▸ HAO1 Q9UJM8 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ SLCO1B3 Q9NPD5 1/20 0.31
▸ SLCO1B1 Q9Y6L6 1/20 0.31
▸ MAPT P10636 3/20 0.30
▸ GAA P10253 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NR1I2 O75469 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ RBP4 P02753 1/20 0.30
▸ APP P05067 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL21755930 0.85 ALDH1A1 (0.34) CYP1A2HAO1ALDH1A1LMNAPTGS1
SCHEMBL10948979 0.67 CYP1A2 (0.36) CYP1A2HAO1ALDH1A1LMNAPTGS1
SCHEMBL19928616 0.67 ALDH1A1 (0.42) CYP1A2HAO1ALDH1A1LMNAPTGS1
SCHEMBL4495310 0.67 CYP1A2 (0.44) CYP1A2HAO1ALDH1A1LMNAPTGS1
SCHEMBL28092263 0.63 CYP1A2 (0.38) CYP1A2HAO1ALDH1A1LMNAPTGS1
SCHEMBL14377497 0.62 ALDH1A1 (0.45) CYP1A2HAO1ALDH1A1LMNAMAPT
SCHEMBL3186206 0.61 ALDH1A1 (0.44) CYP1A2HAO1ALDH1A1LMNAMAPT
SCHEMBL1659293 0.61 CYP1A2 (0.44) CYP1A2HAO1ALDH1A1LMNAPTGS1
SCHEMBL19167425 0.61 CYP1A2 (0.40) CYP1A2HAO1ALDH1A1LMNAPTGS1
SCHEMBL4678663 0.61 CYP1A2 (0.40) CYP1A2HAO1ALDH1A1LMNAPTGS1

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-11253489-B2 Visual cycle modulators CASE WESTERN RESERVE UNIVERSITY (US) 2022-02-22 — — US disclosed
US-20200060996-A1 VISUAL CYCLE MODULATORS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERAN AFFAIRS 2020-02-27 — — 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-20200060996-A1 VISUAL CYCLE MODULATORS ALDH1A2, UACA, NR2E3 CYP1A2 3563/4885HAO1 4022/4885ALDH1A1 1392/4885
US-11253489-B2 Visual cycle modulators ALDH1A2, UACA, NR2E3 CYP1A2 3563/4885HAO1 4022/4885ALDH1A1 1392/4885

“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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