SCHEMBL4969411

SCHEMBL4969411

Cc1ccc2c(c1)NCC(c1ccccc1)O2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.50
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
NISCH Q9Y2I1 2/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL2362658 0.88 MAOB (0.54) MAOBALDH1A1MAPTNISCHCYP19A1
SCHEMBL30991550 0.82 MAOB (0.50) MAOBHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL30317182 0.82 NISCH (0.40) MAOBCYP1A2KMT2AHSD17B10GAA
SCHEMBL4971664 0.82 ADAMTS5 (0.42) MAOBKMT2AHSD17B10SMN1; SMN2GAA
SCHEMBL6981999 0.81 ABCG2 (0.56) MAOBCYP3A4HPGDKMT2AHSD17B10
SCHEMBL9177187 0.80 NISCH (0.58) MAOBCYP3A4HPGDKMT2AHSD17B10
SCHEMBL22570946 0.78 BRD4 (0.45) MAOBCYP1A2CYP3A4CYP2C9HPGD
SCHEMBL30991556 0.77 MAOB (0.41) MAOBCYP1A2HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL22791631 0.76 CREBBP (0.58) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL22791978 0.76 CREBBP (0.58) CYP1A2CYP3A4CYP2C9HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 MAOB 2759/4885CYP1A2 1140/4885CYP3A4 3089/4885

“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.