SCHEMBL6553750

SCHEMBL6553750

Oc1ccc[c]c1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
MGLL Q99685 3/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HCAR3 P49019 1/20 0.36
CA2 P00918 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
AOC3 Q16853 1/20 0.34
SERPINE1 P05121 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP2 P08253 1/20 0.33
DBH P09172 1/20 0.33

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
SCHEMBL6554087 0.79 TSHR (0.39) TSHRMGLLCYP2C19ALDH1A1HCAR3
SCHEMBL6555858 0.76 ALDH1A1 (0.37) TSHRALDH1A1KMT2A
SCHEMBL6553755 0.75 TSHR (0.39) TSHRMGLLCYP2C19ALDH1A1NR1H2
SCHEMBL16719586 0.71 KMT2A (0.47) TSHRALDH1A1KMT2A
SCHEMBL22118149 0.71 TSHR (0.47) TSHRMGLLCYP2C19ALDH1A1CA2
SCHEMBL4535438 0.69 TSHR (0.44) TSHRMGLLCYP2C19ALDH1A1CA2
SCHEMBL7625970 0.69 ALDH1A1 (0.46) ALDH1A1
SCHEMBL11407562 0.69 LMNA (0.35) MGLLALDH1A1CA2TDP1KMT2A
SCHEMBL6555371 0.69 ALDH1A1 (0.33) TSHRALDH1A1CA2TDP1MMP2
SCHEMBL1551925 0.68 BCL2 (0.45) KMT2A

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
EP-1234007-B1 OLIGOMERIC METHINE DYES CLARIANT FINANCE BVI LTD (VG) 2004-02-18 EP disclosed
EP-1234007-A1 OLIGOMERIC METHINE DYES Clariant Finance (BVI) Limited (VG) 2002-08-28 EP disclosed
US-20010012899-A1 Oligomeric methine dyes CLARIANT FINANCE ( BVI) LIMITED 2001-08-09 US disclosed
WO-2001036543-A1 OLIGOMERIC METHINE DYES CLARIANT FINANCE (BVI) LIMITED (VG) 2001-05-25 WO disclosed
US-4256458-A DIMERIC PYRIDINIUM DYES BASF AKTIENGESELLSCHAFT (DE) 1981-03-17 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-20010012899-A1 Oligomeric methine dyes INMT, DDT, DDC TSHR 3212/4885MGLL 2706/4885CYP2C19 1954/4885

“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.