SCHEMBL4201801

SCHEMBL4201801

CCCCCOc1ccnnn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.41
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
NR5A1 Q13285 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 2/20 0.37
RECQL P46063 1/20 0.37
LTA4H P09960 2/20 0.37
MCHR1 Q99705 2/20 0.36
LMNA P02545 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP19A1 P11511 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 3/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL30717193 0.98 SOAT1 (0.43) SOAT1CYP3A4CYP2D6NR5A1NPC1
Hydrochloric Acid SCHEMBL28748162 0.98 SOAT1 (0.43) SOAT1CYP3A4CYP2D6NR5A1NPC1
SCHEMBL28973726 0.94 CYP2D6 (0.42) SOAT1CYP3A4CYP2D6NPC1RAB9A
Methacrylic Acid SCHEMBL28335345 0.85 TSHR (0.42) SOAT1CYP3A4CYP2D6NPC1LMNA
SCHEMBL436761 0.80
SCHEMBL898231 0.78 SOAT1 (0.44) SOAT1CYP3A4CYP2D6NR5A1NPC1
SCHEMBL2130269 0.76 SOAT1 (0.47) SOAT1CYP3A4CYP2D6NR5A1NPC1
SCHEMBL4273729 0.73 RAB9A (0.56) SOAT1CYP3A4CYP2D6NR5A1NPC1
SCHEMBL28406995 0.73 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL28398690 0.73 ALDH1A1 (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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945477-B1 Cyanate ester based thermoset compositions GEN ELECTRIC (US) 2004-09-22 EP claimed
EP-0949251-B1 Diresorcinyltriazines as sunscreen agents CIBA HOLDING INC (CH) 2009-04-01 EP disclosed
WO-2007137190-A2 FUNCTIONALLY DIVERSE MACROMOLECULES AND THEIR SYNTHESIS THE TEXAS A & M UNIVERSITY SYSTEM (US) 2007-11-29 WO disclosed
US-20070098676-A1 FUNCTIONALLY DIVERSE MACROMOLECULES AND THEIR SYNTHESIS THE TEXAS A&M UNIVERSITY SYSTEM 2007-05-03 US disclosed
CN-1168722-C Diresorcinyl-alkoxy-and-aryloxy-s-triazines �������⻯ѧƷ�ع����޹�˾ 2004-09-29 CN disclosed
US-6403229-B2 CURABLE COMPOSITIONS OF A CYANATE ESTER AND A CYANATE ESTER PREPOLYMER, A CYANATE ESTER-FREE ARYLOXYTRIAZINE, AND A CURING CATALYST USED IN CIRCUIT BOARDS, STRUCTURAL COMPOSITES, ENCAPSULATING RESINS, ETC... GENERAL ELECTRIC COMPANY 2002-06-11 US disclosed
US-6245841-B1 BLEND CONTAINING FLAME RETARDER AND CURING AGENT GENERAL ELECTRIC COMPANY 2001-06-12 US disclosed
US-6194495-B1 CURBLE COMPOSITION WITH ARYLOXYTRIAZINE GENERAL ELECTRIC COMPANY 2001-02-27 US disclosed
CN-1232027-A Diresorcinyl-alkoxy-and-aryloxy-s-triazines CIBA SC HOLDING AG (CH) 1999-10-20 CN disclosed
EP-0949251-A1 Diresorcinyltriazines as sunscreen agents Ciba SC Holding AG (CH) 1999-10-13 EP disclosed
EP-0949251-A1 Diresorcinyltriazines as sunscreen agents Ciba SC Holding AG (CH) 1999-10-13 EP disclosed
US-4281124-A Reactive quaternary compounds, their preparation and their use for increasing the affinity of anionic dyestuffs for fibres which contain nitrogen or hydroxyl groups BAYER AKTIENGESELLSCHAFT (DE) 1981-07-28 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-20070098676-A1 FUNCTIONALLY DIVERSE MACROMOLECULES AND THEIR SYNTHESIS ECPAS, PCNA, MRPS22 SOAT1 4425/4885CYP3A4 4133/4885CYP2D6 3671/4885

“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.