SCHEMBL4450228

SCHEMBL4450228

CC(C)C1CCC[C@H]2[C@H]1CCC1C(C)(C)CCC[C@@]12C

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.55
UGT2B7 P16662 16/20 0.41
NR1H4 Q96RI1 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 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
SCHEMBL18050900 0.80 PTPN1 (0.51) PTPN1UGT2B7NR1H4
SCHEMBL9975951 0.80 UGT2B7 (0.41) PTPN1UGT2B7
SCHEMBL23284065 0.75 PTPN1 (0.62) PTPN1UGT2B7NR1H4ALDH1A1CYP3A4
SCHEMBL160601 0.71 PTPN1 (1.00) PTPN1NR1H4ALDH1A1CYP3A4CYP2C9
SCHEMBL8068676 0.71 PTPN1 (1.00) PTPN1NR1H4ALDH1A1CYP3A4CYP2C9
SCHEMBL4453645 0.70 PTPN1 (0.41) PTPN1UGT2B7
SCHEMBL29397485 0.68 PTPN1 (0.44) PTPN1UGT2B7ALDH1A1CYP3A4CYP2C9
SCHEMBL16243482 0.66 UGT2B7 (0.47) UGT2B7
SCHEMBL16243483 0.66 UGT2B7 (0.47) UGT2B7
SCHEMBL29617465 0.66 UGT2B7 (0.40) PTPN1UGT2B7

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-20090018200-A1 COMPOSITION CONTAINING A PHENANTHRENOL L'OREAL (FR) 2009-01-15 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-20090018200-A1 COMPOSITION CONTAINING A PHENANTHRENOL CUTA, AHR, TYR PTPN1 3963/4885UGT2B7 2253/4885NR1H4 1459/4885

“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.