SCHEMBL4231385

SCHEMBL4231385

CCCCCCc1[nH]cc[n+]1CCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HSP90AA1 P07900 2/20 0.36
MAPK1 P28482 2/20 0.36
RAD52 P43351 2/20 0.36
RGS12 O14924 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL16163774 1.00 GPR84 (0.38) GPR84KMT2AMEN1MAPTTP53
SCHEMBL4226782 1.00 GPR84 (0.38) GPR84KMT2AMEN1MAPTTP53
SCHEMBL4225934 1.00 GPR84 (0.38) GPR84KMT2AMEN1MAPTTP53
SCHEMBL18342020 1.00 GPR84 (0.38) GPR84KMT2AMEN1MAPTTP53
SCHEMBL4230810 1.00 GPR84 (0.38) GPR84KMT2AMEN1MAPTTP53
SCHEMBL5087442 0.96 KMT2A (0.40) GPR84KMT2AMEN1MAPTTP53
SCHEMBL4071944 0.96 KMT2A (0.40) GPR84KMT2AMEN1MAPTTP53
SCHEMBL5306990 0.96 KMT2A (0.40) GPR84KMT2AMEN1MAPTTP53
SCHEMBL18341989 0.96 KMT2A (0.40) GPR84KMT2AMEN1MAPTTP53
SCHEMBL5292633 0.96 KMT2A (0.40) GPR84KMT2AMEN1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313938-A1 POLYMER COMPOSITION HAVING DELAYED CRYSTALLIZATION BEHAVIOR, ADDITIVE COMPOSITION THAT INFLUENCES THE CRYSTALLIZATION BEHAVIOR, METHOD FOR LOWERING THE CRYSTALLIZATION POINT, AND USE OF AN ADDITIVE COMPOSITION Fraunhofer Gesellschaft zur Förderung der Angewand (DE) 2018-05-02 EP claimed
WO-2016207003-A1 POLYMER COMPOSITION HAVING DELAYED CRYSTALLIZATION BEHAVIOR, ADDITIVE COMPOSITION THAT INFLUENCES THE CRYSTALLIZATION BEHAVIOR, METHOD FOR LOWERING THE CRYSTALLIZATION POINT, AND USE OF AN ADDITIVE COMPOSITION Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2016-12-29 WO claimed
EP-3485068-A1 ELECTROCHEMICAL METHODS, DEVICES AND COMPOSITIONS Alligant Scientific, LLC (US) 2019-05-22 EP disclosed
WO-2018038788-A1 PHOTOTUNABLE THERMOPLASTIC ELASTOMER HYDROGEL NETWORKS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2018-03-01 WO disclosed
WO-2017096367-A1 THERMOPLASTIC ELASTOMER HYDROGELS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2017-06-08 WO disclosed
US-9598342-B2 Production of acetic acid with enhanced catalyst stability CELANESE INTERNATIONAL CORPORATION (US) 2017-03-21 US disclosed
US-20140309455-A1 PRODUCTION OF ACETIC ACID WITH ENHANCED CATALYST STABILITY CELANESE INTERNATIONAL CORPORATION (US) 2014-10-16 US disclosed
WO-2009062723-A1 METHOD FOR PRODUCING REGENERATED BIOPOLYMERS AND REGENERATED PRODUCTS OBTAINED BY SAID METHOD BASF SE (DE) 2009-05-22 WO disclosed
EP-1966284-A1 SOLVENT SYSTEM BASED ON MOLTEN IONIC LIQUIDS, ITS PRODUCTION AND USE FOR PRODUCING REGENERATED CARBOHYDRATES BASF SE (DE) 2008-09-10 EP disclosed
WO-2007076979-A1 SOLVENT SYSTEM BASED ON MOLTEN IONIC LIQUIDS, ITS PRODUCTION AND USE FOR PRODUCING REGENERATED CARBOHYDRATES BASF SE (DE) 2007-07-12 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-20140309455-A1 PRODUCTION OF ACETIC ACID WITH ENHANCED CATALYST STABILITY SSTR2, SP1, ADH1C GPR84 1951/4885KMT2A 1282/4885MEN1 897/4885

“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.