SCHEMBL6555084

SCHEMBL6555084

CCN(CC#N)c1[c]cccc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.33
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL350461 0.83 TSHR (0.38) TSHRALDH1A1CYP3A4
SCHEMBL11794267 0.83 PYCR1 (0.36) MAOBTSHRALDH1A1CYP3A4
SCHEMBL6555092 0.81 ALDH1A1 (0.37) TSHRALDH1A1CYP3A4
SCHEMBL6554156 0.80 ALDH1A1 (0.42) MAOBTSHRALDH1A1CYP3A4
SCHEMBL6553712 0.79 MAOB (0.38) MAOB
SCHEMBL6553728 0.77 ALDH1A1 (0.36) TSHRALDH1A1CYP3A4
SCHEMBL4722446 0.77 TSHR (0.33) TSHRALDH1A1CYP3A4
SCHEMBL6554121 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL22729 0.75
SCHEMBL2456294 0.74 MAPT (0.36) TSHRALDH1A1

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 3 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
US-20010012899-A1 Oligomeric methine dyes CLARIANT FINANCE ( BVI) LIMITED 2001-08-09 US 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 MAOB 58/4885TSHR 3212/4885ALDH1A1 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.