SCHEMBL587841

SCHEMBL587841

C=CC=C(C(=O)O)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
AKR1C2 P52895 1/20 0.49
CDC25B P30305 1/20 0.49
MMP3 P08254 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
PTPN1 P18031 1/20 0.45
PLK1 P53350 1/20 0.45
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PTK2B Q14289 1/20 0.44
GPR52 Q9Y2T5 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.41

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
SCHEMBL7068072 0.85 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7068069 0.85 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11149495 0.81 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11127311 0.81 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11127306 0.81 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11149500 0.81 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30507856 0.81 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Ethylene SCHEMBL28650847 0.80 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11257067 0.79 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11257065 0.79 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2956580-B1 INK COMPOSITIONS SENSIENT COLORS LLC (US) 2020-04-08 EP disclosed
EP-3483222-A2 SELF-DISPERSED PIGMENTS AND METHODS FOR MAKING AND USING THE SAME Sensient Colors LLC (US) 2019-05-15 EP disclosed
EP-2201072-B1 SELF-DISPERSED PIGMENTS AND METHODS FOR MAKING AND USING THE SAME SENSIENT COLORS LLC (US) 2018-11-14 EP disclosed
US-9844949-B2 Ink compositions SENSIENT COLORS LLC (US) 2017-12-19 US disclosed
US-9771488-B2 Self-crosslinking dispersions, and methods for making and using the same SENSIENT COLORS LLC (US) 2017-09-26 US disclosed
EP-2920258-B1 SELF-CROSSLINKING DISPERSIONS, AND METHODS FOR MAKING AND USING THE SAME SENSIENT COLORS LLC (US) 2016-10-12 EP disclosed
US-20160002847-A1 INK COMPOSITIONS SUN CHEMICAL CORPORATION 2016-01-07 US disclosed
US-9221986-B2 Self-dispersing particles and methods for making and using the same SENSIENT COLORS LLC (US) 2015-12-29 US disclosed
EP-2956580-A1 INK COMPOSITIONS Sensient Colors LLC (US) 2015-12-23 EP disclosed
EP-2920258-A1 SELF-CROSSLINKING DISPERSIONS, AND METHODS FOR MAKING AND USING THE SAME Sensient Colors LLC (US) 2015-09-23 EP disclosed
EP-2201072-A2 SELF-DISPERSED PIGMENTS AND METHODS FOR MAKING AND USING THE SAME Sensient Colors Inc. (US) 2010-06-30 EP disclosed
US-20100061951-A1 SELF-DISPERSED PIGMENTS AND METHODS FOR MAKING AND USING THE SAME SENSIENT COLORS INC. (US) 2010-03-11 US disclosed
WO-2010022377-A2 SELF-DISPERSED PIGMENTS AND METHODS FOR MAKING AND USING THE SAME SENSIENT COLORS INC. (US) 2010-02-25 WO disclosed
EP-2099869-A2 MODIFIED PIGMENTS AND METHODS FOR MAKING AND USING THE SAME Sensient Colors Inc. (US) 2009-09-16 EP disclosed
WO-2009026552-A2 SELF-DISPERSED PIGMENTS AND METHODS FOR MAKING AND USING THE SAME SENSIENT COLORS INC. (US) 2009-02-26 WO disclosed
US-20090050014-A1 SELF-DISPERSED PIGMENTS AND METHODS FOR MAKING AND USING THE SAME SENSIENT COLORS INC. (US) 2009-02-26 US disclosed
US-20080121138-A1 self-dispersing for inkjet printers; sulfonating with sulfuric acid and subsequently oxidizing carbon black or organic pigments SENSIENT COLORS INC. (US) 2008-05-29 US disclosed
US-20080115695-A1 Surface modification; sulfonation then oxidation; stable, self dispersing; carbon black; ink jet inks SENSIENT COLORS INC. (US) 2008-05-22 US disclosed
WO-2008055245-A2 INKS COMPRISING MODIFIED PIGMENTS AND METHODS FOR MAKING AND USING THE SAME SENSIENT COLORS INC. (US) 2008-05-08 WO disclosed
WO-2008055244-A2 MODIFIED PIGMENTS AND METHODS FOR MAKING AND USING THE SAME SENSIENT COLORS INC. (US) 2008-05-08 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-20100061951-A1 SELF-DISPERSED PIGMENTS AND METHODS FOR MAKING AND USING THE SAME TYR, SMS, SRM CYP1A2 3991/4885CYP3A4 3254/4885CYP2D6 4197/4885

“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.