SCHEMBL2854510

SCHEMBL2854510

C1=CCN2C(=C1)Oc1ccccc12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 8/20 0.35
DAPK3 O43293 1/20 0.32
RET P07949 1/20 0.32
PRKACA P17612 1/20 0.32
GRK5 P34947 1/20 0.32
CDK8 P49336 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
PRKCQ Q04759 1/20 0.32
PTK2 Q05397 1/20 0.32
TNK2 Q07912 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31

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
SCHEMBL30171415 0.66 P2RX4 (0.35) P2RX4
SCHEMBL2057181 0.66 HPGD (0.37)
SCHEMBL31031209 0.64 GAA (0.33)
SCHEMBL1343638 0.64 P2RX4 (0.37) P2RX4
SCHEMBL5655144 0.62 ABCG2 (0.32) ABCG2ITGB2ICAM1ITGAL
SCHEMBL7286031 0.62 DNMT1 (0.40)
SCHEMBL15227014 0.62 SMN1; SMN2 (0.50) ITGB2ICAM1ITGAL
SCHEMBL1962664 0.57 P2RX1 (0.33) P2RX4
SCHEMBL38662568 0.57 PIM1 (0.49) P2RX4
SCHEMBL6366067 0.57 GAA (0.44) P2RX4DAPK3RETPRKACAGRK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1652554-B1 Composition comprising at least one carboycanine, process of treating keratinic fibres, kit and use of said composition OREAL (FR) 2010-01-13 EP claimed
US-7425221-B2 Composition comprising at least one substituted derivative of carbocyanine, method for treating keratin fibers using it, device and use L'OREAL S.A. (FR) 2008-09-16 US claimed
US-20060195990-A1 Composition comprising at least one substituted derivative of carbocyanine, method for treating keratin fibers using it, device and use L'OREAL S.A. (FR) 2006-09-07 US claimed
EP-1652554-A1 Composition comprising at least one carboycanine, process of treating keratinic fibres, kit and use of said composition L'OREAL (FR) 2006-05-03 EP claimed
WO-2006030127-A1 COMPOSITION COMPRISING AT LEAST ONE SUBSTITUTED CARBOCYANINE DERIVATIVE, KERATIN FIBRE TREATMENT METHOD USING SAME, ASSOCIATED DEVICE AND USE THEREOF L'OREAL (FR) 2006-03-23 WO claimed
EP-1652554-B1 Composition comprising at least one carboycanine, process of treating keratinic fibres, kit and use of said composition OREAL (FR) 2010-01-13 EP disclosed
US-7425221-B2 Composition comprising at least one substituted derivative of carbocyanine, method for treating keratin fibers using it, device and use L'OREAL S.A. (FR) 2008-09-16 US disclosed
US-20060195990-A1 Composition comprising at least one substituted derivative of carbocyanine, method for treating keratin fibers using it, device and use L'OREAL S.A. (FR) 2006-09-07 US disclosed
WO-2006030127-A1 COMPOSITION COMPRISING AT LEAST ONE SUBSTITUTED CARBOCYANINE DERIVATIVE, KERATIN FIBRE TREATMENT METHOD USING SAME, ASSOCIATED DEVICE AND USE THEREOF L'OREAL (FR) 2006-03-23 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-20060195990-A1 Composition comprising at least one substituted derivative of carbocyanine, method for treating keratin fibers using it, device and use KRT18, KLK5, IK P2RX4 4188/4885DAPK3 1745/4885RET 2573/4885

“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.