SCHEMBL366223

SCHEMBL366223

CC(C)Oc1ccc([NH])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A3 P47895 1/20 0.52
▸ KMT2A Q03164 3/20 0.50
▸ PARP10 Q53GL7 1/20 0.48
▸ POLB P06746 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ RAB9A P51151 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ BRPF1 P55201 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PTPN5 P54829 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL125543 0.86 ALDH1A3 (0.64) ALDH1A3KMT2APARP10POLBGAA
Hydrogen Peroxide SCHEMBL28902806 0.80 KMT2A (0.70) ALDH1A3KMT2APARP10POLBGAA
SCHEMBL2096256 0.79 ALDH1A3 (0.52) ALDH1A3KMT2APARP10POLBGAA
SCHEMBL6282894 0.78 ALDH1A3 (0.56) ALDH1A3KMT2APARP10POLBGAA
SCHEMBL197284 0.78 ALDH1A3 (0.56) ALDH1A3KMT2APARP10POLBGAA
SCHEMBL1808042 0.77 ACACB (0.40) ALDH1A3POLBGAACYP1A2CYP2D6
SCHEMBL104201 0.76 ALDH1A3 (0.54) ALDH1A3KMT2APARP10POLBGAA
SCHEMBL29171514 0.76 ALDH1A3 (0.54) ALDH1A3KMT2APARP10POLBGAA
SCHEMBL178454 0.76 CA1 (0.61) ALDH1A3KMT2APARP10POLBGAA
SCHEMBL22006692 0.75 ALDH1A3 (0.48) ALDH1A3KMT2APARP10POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012009258-A2 PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS ROBERTS EDWARD (US) 2012-01-19 — — WO claimed
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 — — US disclosed
WO-2012009258-A2 PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS ROBERTS EDWARD (US) 2012-01-19 — — WO disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 — — US disclosed
EP-0832091-B1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR INC (US) 2004-01-14 — — EP 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 ALDH1A3 446/4885KMT2A 1224/4885PARP10 4555/4885

“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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