SCHEMBL2608675

SCHEMBL2608675

CC(C)(C)CC(C)(C)c1cc(CCc2cc(C(C)(C)CC(C)(C)C)cc(-n3n4c5ccccc5n34)c2O)c(O)c(-n2n3c4ccccc4n23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ IDH1 O75874 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ SHBG P04278 1/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ USP2 O75604 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ AR P10275 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ PTGS1 P23219 1/20 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
SCHEMBL2612596 0.92 CYP3A4 (0.40) CYP3A4HIF1AHSD17B10IDH1ALDH1A1
SCHEMBL10031633 0.91 CYP3A4 (0.40) CYP3A4HIF1AHSD17B10IDH1ALDH1A1
SCHEMBL13652843 0.87 BCL2 (0.39) CYP3A4HIF1AHSD17B10IDH1ALDH1A1
SCHEMBL14513849 0.81 CYP3A4 (0.34) CYP3A4HIF1AHSD17B10IDH1ALDH1A1
SCHEMBL9002356 0.81 CYP3A4 (0.45) CYP3A4HIF1AHSD17B10IDH1ALDH1A1
SCHEMBL2612597 0.81 SHBG (0.36) CYP3A4HIF1AHSD17B10IDH1ALDH1A1
SCHEMBL5159425 0.79 NPC1 (0.43) CYP3A4HIF1AHSD17B10IDH1ALDH1A1
SCHEMBL13652839 0.78 CYP3A4 (0.34) CYP3A4HIF1AHSD17B10IDH1ALDH1A1
SCHEMBL19413908 0.77 CYP3A4 (0.33) CYP3A4HIF1AHSD17B10IDH1ALDH1A1
SCHEMBL13652823 0.75 ESR1 (0.36) CYP3A4ALDH1A1CYP2C9SHBGESR1

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-9498653-B2 Sunscreen cosmetic composition containing ultraviolet absorber ADEKA CORPORATION (JP) 2016-11-22 — — US disclosed
US-20120093747-A1 SUNSCREEN COSMETIC COMPOSITION CONTAINING ULTRAVIOLET ABSORBER ADEKA CORPORATION (JP) 2012-04-19 — — 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-20120093747-A1 SUNSCREEN COSMETIC COMPOSITION CONTAINING ULTRAVIOLET ABSORBER CYP8B1, TYR, ERCC5 CYP3A4 325/4885HIF1A 3105/4885HSD17B10 121/4885

“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.

Send feedback