SCHEMBL4137348

SCHEMBL4137348

CCCCCCCCCc1ccc(Oc2cccc(C#N)c2C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2695335 1.00 TSHR (0.46) TSHRHSD17B10SMN1; SMN2KDM4EPOLB
SCHEMBL30360748 0.88 PPARA (0.46)
SCHEMBL2696168 0.88 PPARA (0.46)
SCHEMBL28984278 0.88 PPARA (0.46)
SCHEMBL20510911 0.81 AR (0.44) SMN1; SMN2KDM4EPOLBGAATHRA
SCHEMBL4101870 0.81 AR (0.44) SMN1; SMN2KDM4EPOLBGAATHRA
SCHEMBL4101867 0.81 MAPT (0.36) TSHRHSD17B10SMN1; SMN2KDM4EPOLB
SCHEMBL2695332 0.80 KDM4E (0.41) SMN1; SMN2KDM4EPOLBGAAALDH1A1
SCHEMBL31490388 0.78 KDM4E (0.50) SMN1; SMN2KDM4EPOLBGAA
SCHEMBL3574617 0.78 KDM4E (0.50) SMN1; SMN2KDM4EPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090189086-A1 USE OF ARYL-OR ALKYLOXY-SUBSTITUTED PHTHALOCYANINES AS MARKING SUBSTANCES FOR LIQUIDS BASF SE (DE) 2009-07-30 US disclosed
US-20090189086-A1 USE OF ARYL-OR ALKYLOXY-SUBSTITUTED PHTHALOCYANINES AS MARKING SUBSTANCES FOR LIQUIDS BASF SE (DE) 2009-07-30 US disclosed
CN-101421236-A Use of aryl- or alkyloxy-substituted phthalocyanines as marking substances for liquids BASF SE (DE) 2009-04-29 CN disclosed
EP-1996549-A1 USE OF ARYL- OR ALKYLOXY-SUBSTITUTED PHTHALOCYANINES AS MARKING SUBSTANCES FOR LIQUIDS BASF SE (DE) 2008-12-03 EP disclosed
WO-2007104685-A1 USE OF ARYL- OR ALKYLOXY-SUBSTITUTED PHTHALOCYANINES AS MARKING SUBSTANCES FOR LIQUIDS BASF SE (DE) 2007-09-20 WO disclosed
WO-2007104685-A1 USE OF ARYL- OR ALKYLOXY-SUBSTITUTED PHTHALOCYANINES AS MARKING SUBSTANCES FOR LIQUIDS BASF SE (DE) 2007-09-20 WO 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-20090189086-A1 USE OF ARYL-OR ALKYLOXY-SUBSTITUTED PHTHALOCYANINES AS MARKING SUBSTANCES FOR LIQUIDS FABP4, MKI67, FABP1 TSHR 3329/4885HSD17B10 190/4885SMN1; SMN2 3609/4885

“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.