SCHEMBL4377802

SCHEMBL4377802

c1cccc2ccccc2c2ccccc2cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.85
CYP2A6 P11509 5/20 0.85
HSD17B10 Q99714 4/20 0.85
TSHR P16473 4/20 0.85
TDP1 Q9NUW8 1/20 0.85
HPRT1 P00492 3/20 0.73
HIF1A Q16665 1/20 0.65
CYP1B1 Q16678 1/20 0.65
PAX8 Q06710 1/20 0.55
ALOX12 P18054 1/20 0.54
CYP1A2 P05177 3/20 0.53
CYP3A4 P08684 3/20 0.53
HPGD P15428 2/20 0.53
KEAP1 Q14145 1/20 0.53
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
CDC25B P30305 1/20 0.48

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
Phenanthrene SCHEMBL201780 0.96 ALDH1A1 (0.92) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL28634294 0.93 HSD17B10 (0.86) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL2321409 0.93 ALDH1A1 (0.86) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL29477074 0.92 CYP2A6 (1.00) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL29358486 0.92 CYP2A6 (1.00) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL27458043 0.92 CYP2A6 (1.00) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL8873977 0.92 CYP2A6 (1.00) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL7643 0.92 CYP2A6 (1.00) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL30932938 0.92 CYP2A6 (1.00) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL1330750 0.92 CYP2A6 (1.00) ALDH1A1CYP2A6HSD17B10TSHRTDP1

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-20090299093-A1 Preparation of Gamma-Amino Acids Having Affinity for The Alpha-2-Delta Protein PFIZER INC. 2009-12-03 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-20090299093-A1 Preparation of Gamma-Amino Acids Having Affinity for The Alpha-2-Delta Protein SCN2A, CACNG2, SCN1A ALDH1A1 2226/4885CYP2A6 3609/4885HSD17B10 4039/4885

“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.