SCHEMBL6554087

SCHEMBL6554087

Clc1ccc[c]c1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
HIF1A Q16665 1/20 0.35
AOC3 Q16853 1/20 0.34
MGLL Q99685 1/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
HTT P42858 1/20 0.33
NR3C1 P04150 1/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PYCR1 P32322 1/20 0.33
HCAR3 P49019 1/20 0.33
G6PC1 P35575 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
SCHEMBL6553750 0.79 TSHR (0.41) TSHRCYP2C19ALDH1A1AOC3MGLL
SCHEMBL2959668 0.76 SMN1; SMN2 (0.33) TSHRALDH1A1LMNAMAPT
SCHEMBL6554090 0.75 TSHR (0.39) TSHRCYP2C19ALDH1A1LMNAAOC3
SCHEMBL2961722 0.73 CRHR1 (0.36) AOC3
SCHEMBL29013279 0.71 NR3C1 (0.46) TSHRCYP2C19ALDH1A1AOC3MGLL
SCHEMBL2959244 0.70 LMNA (0.35) TSHRALDH1A1LMNANR1H2NR1H3
SCHEMBL7465411 0.69 CALM1 (0.44) TSHRALDH1A1SIGMAR1LMNAHIF1A
SCHEMBL4535438 0.69 TSHR (0.44) TSHRCYP2C19ALDH1A1LMNAAOC3
SCHEMBL7625970 0.69 ALDH1A1 (0.46) ALDH1A1NR3C1
SCHEMBL196541 0.69 LMNA (0.33) TSHRLMNAAOC3HTT

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 3212/4885CYP2C19 1954/4885ALDH1A1 604/4885

“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.