SCHEMBL15045276

SCHEMBL15045276

C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)C(C(C)/C=C/C=C/C(C)(CC)CC)CC[C@@H]12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.71
▸ ALOX15 P16050 3/20 0.71
▸ CYP3A4 P08684 3/20 0.71
▸ LMNA P02545 2/20 0.71
▸ HSPD1 P10809 2/20 0.71
▸ PTGS1 P23219 2/20 0.71
▸ HSPE1 P61604 2/20 0.71
▸ ADRA1A P35348 2/20 0.71
▸ AR P10275 1/20 0.71
▸ TSHR P16473 1/20 0.71
▸ CYP2C9 P11712 1/20 0.71
▸ CYP2C19 P33261 1/20 0.71
▸ USP2 O75604 1/20 0.71
▸ ABCB11 O95342 1/20 0.71
▸ ESR1 P03372 1/20 0.71
▸ TST Q16762 1/20 0.71
▸ VDR P11473 5/20 0.69
▸ MAPT P10636 3/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ SREBF1 P36956 1/20 0.64

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
SCHEMBL12516466 0.92 VDR (0.81) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL29768278 0.86 ALDH1A1 (0.75) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL5284953 0.86 ALDH1A1 (0.75) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL285664 0.86 ALDH1A1 (0.75) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL6651542 0.86 ALDH1A1 (0.75) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL285663 0.86 ALDH1A1 (0.75) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL5917328 0.86 ALDH1A1 (0.75) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL6651547 0.86 ALDH1A1 (0.75) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL19733279 0.85 ALDH1A1 (0.74) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL1249402 0.85 ALDH1A1 (0.74) ALDH1A1ALOX15CYP3A4LMNAHSPD1

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-9775903-B2 1-deoxy analogs of 1,25-dihydroxyvitamin D3 compounds JOHNS HOPKINS UNIVERSITY (US) 2017-10-03 — — US disclosed
US-20130157987-A1 1-DEOXY ANALOGS OF 1,25-DIHYDROXYVITAMIN D3 COMPOUNDS JOHNS HOPKINS UNIVERSITY (US) 2013-06-20 — — 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-20130157987-A1 1-DEOXY ANALOGS OF 1,25-DIHYDROXYVITAMIN D3 COMPOUNDS CYP24A1, CYP2R1, CYP27B1 ALDH1A1 288/4885ALOX15 394/4885CYP3A4 35/4885

“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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