SCHEMBL6553755

SCHEMBL6553755

Oc1[c]cccc1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
MGLL Q99685 3/20 0.38
CYP2C19 P33261 2/20 0.38
NR3C1 P04150 8/20 0.38
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
AR P10275 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
AOC3 Q16853 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 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
SCHEMBL6554090 0.79 TSHR (0.39) TSHRMGLLCYP2C19NR3C1PGR
SCHEMBL7148219 0.76 TSHR (0.54) TSHRMGLLCYP2C19NR3C1PGR
SCHEMBL6555862 0.76 ALDH1A1 (0.37) TSHRALDH1A1KDM4ECYP3A4
SCHEMBL6553750 0.75 TSHR (0.41) TSHRMGLLCYP2C19ALDH1A1NR1H2
SCHEMBL22118149 0.75 TSHR (0.47) TSHRMGLLCYP2C19NR3C1PGR
SCHEMBL4535438 0.69 TSHR (0.44) TSHRMGLLCYP2C19ALDH1A1NR1H2
SCHEMBL11407565 0.69 CHKA (0.36) TSHRMGLLNR3C2ALDH1A1LMNA
SCHEMBL6555374 0.69 GAA (0.39) TSHRALDH1A1KDM4ELMNA
SCHEMBL3395146 0.68 BCL2 (0.50) CYP3A4
SCHEMBL6554087 0.68 TSHR (0.39) TSHRMGLLCYP2C19NR3C1ALDH1A1

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.