SCHEMBL5831023

SCHEMBL5831023

[CH](Cc1ccccc1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
TSHR P16473 4/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ARG2 P78540 1/20 0.39
CYP2C19 P33261 1/20 0.38
CALM1 P0DP23 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HSP90AA1 P07900 1/20 0.35
IDO1 P14902 1/20 0.35
TP53 P04637 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
TRPA1 O75762 1/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL7181286 0.77 MAOB (0.58) MAOBTSHRCA1CA2ARG2
SCHEMBL315074 0.73 MAOB (0.52) MAOBTSHRCA1CA2ARG2
SCHEMBL3684137 0.73 ALDH1A1 (0.40) TSHRCYP2C19ALDH1A1TP53KCNH2
SCHEMBL3241607 0.70 MAOB (0.48) MAOBTSHRCA1CA2ARG2
SCHEMBL21995198 0.70 ALDH1A1 (0.38) TSHRCYP2C19ALDH1A1TP53TRPA1
SCHEMBL8084896 0.70 MAOB (0.48) MAOBTSHRCA1CA2ARG2
SCHEMBL304901 0.69 ALDH1A1 (0.36) MAOBTSHRCYP2C19ALDH1A1HSP90AA1
SCHEMBL155055 0.68 MAOB (1.00) MAOBTSHRCA1CA2ARG2
SCHEMBL155054 0.68 MAOB (1.00) MAOBTSHRCA1CA2ARG2
SCHEMBL1133467 0.68 MAOB (0.50) MAOBTSHRCALM1ALDH1A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038086-B2 Vinyl polymer and organic electroluminescent device Shirota, Yasuhiko (JP) 2006-05-02 US disclosed
US-20040199016-A1 Vinyl polymer and organic electroluminescent device DAICEL CHEMICAL INDUSTRIES, LTD. 2004-10-07 US disclosed
US-6784318-B2 HEAT RESISTANCE YASUHIKO SHIROTA (JP) 2004-08-31 US disclosed
US-20030164678-A1 Vinyl polymer and organic electroluminescent device DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-04 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 (2 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-20030164678-A1 Vinyl polymer and organic electroluminescent device HVCN1, VMP1, ELAVL1 MAOB 4217/4885TSHR 4550/4885CA1 4415/4885
US-20040199016-A1 Vinyl polymer and organic electroluminescent device HVCN1, VMP1, ELAVL1 MAOB 4252/4885TSHR 4502/4885CA1 4490/4885

“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.