SCHEMBL6028062

SCHEMBL6028062

Cc1ccc(-c2ccc(C3(C)OC(=O)C(O)=C3O)cc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34
ALOX5AP P20292 1/20 0.34
P2RX7 Q99572 3/20 0.32
KDM1A O60341 1/20 0.32
DHODH Q02127 1/20 0.32
MCHR1 Q99705 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LDHA P00338 2/20 0.31
P2RX3 P56373 1/20 0.31

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
SCHEMBL6026628 0.83 MEN1 (0.37) PTGS2RAB9AMEN1KMT2ALMNA
SCHEMBL6027688 0.82 CYP3A4 (0.40) CYP3A4CYP2A6CCR1CCR5CCR8
SCHEMBL7972386 0.79 MAPT (0.40) CYP3A4CYP2A6SMN1; SMN2MAPTRAB9A
SCHEMBL7984718 0.76 CHRNA1 (0.42) PTGS2SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL7983353 0.76 CHRNA1 (0.42) PTGS2SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL7956291 0.75 PTGER3 (0.40) CYP3A4CYP2A6SMN1; SMN2MAPTLMNA
SCHEMBL6026165 0.75 HSD17B1 (0.38) SMN1; SMN2MAPTRAB9AMEN1KMT2A
SCHEMBL7971994 0.74 PGR (0.37) CYP3A4P2RX3
SCHEMBL7969034 0.74 ALDH1A1 (0.38) PTGS2PTGS1SMN1; SMN2
SCHEMBL7966664 0.74 HCAR2 (0.46) CYP3A4PTGS2PTGS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019029-B2 Skin whiteners containing hydroxytetronic acid derivatives THE NORTHWESTERN MUTUAL LIFE INSURANCE COMPANY, AS ADMINISTRATIVE AGENT 2006-03-28 US disclosed
US-20020141956-A1 Skin whiteners containing hydroxytetronic acid derivatives THE NORTHWESTERN MUTUAL LIFE INSURANCE COMPANY, AS ADMINISTRATIVE AGENT 2002-10-03 US disclosed
US-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 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-20020141956-A1 Skin whiteners containing hydroxytetronic acid derivatives TYR, PPP6C, CYP26A1 CYP3A4 3041/4885CYP2A6 87/4885CCR1 3682/4885

“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.