SCHEMBL22304368

SCHEMBL22304368

CC(Cc1nc2ccccc2[nH]1)c1ccc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.51
▸ RAB9A P51151 10/20 0.51
▸ SMN1; SMN2 Q16637 9/20 0.51
▸ TP53 P04637 3/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ TSHR P16473 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ POLB P06746 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43

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
SCHEMBL20865042 0.81 SIGMAR1 (0.42) KMT2AMEN1
SCHEMBL22303485 0.77 NPC1 (0.40) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL683906 0.73 ALOX5 (0.57) RAB9ASMN1; SMN2GAALMNAMAPK1
SCHEMBL7690199 0.73 GRIN1 (0.72) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL20865069 0.72 MAPT (0.55) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL29783449 0.72 MAPT (0.55) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL8640793 0.72 NPC1 (0.65) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL20865040 0.72 CYP4F2 (0.48) LMNA
SCHEMBL10745905 0.71 AMY1A (0.53) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL31166963 0.71 ALOX5 (0.50) RAB9ASMN1; SMN2KMT2AGAALMNA

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-20200246240-A1 RESORCINOL DERIVATIVES FOR THEIR COSMETIC USE L'OREAL (FR) 2020-08-06 — — 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-20200246240-A1 RESORCINOL DERIVATIVES FOR THEIR COSMETIC USE KRT18, RARA, RBP4 NPC1 1249/4885RAB9A 545/4885SMN1; SMN2 4685/4885

“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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