SCHEMBL820186

SCHEMBL820186

CCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.79
TSHR P16473 4/20 0.79
LMNA P02545 4/20 0.79
CYP3A4 P08684 3/20 0.77
MAPK1 P28482 2/20 0.77
TP53 P04637 1/20 0.77
L3MBTL1 Q9Y468 5/20 0.69
TDP1 Q9NUW8 3/20 0.69
HSD17B10 Q99714 2/20 0.65
KDM4E B2RXH2 2/20 0.65
POLB P06746 1/20 0.65
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PTPN1 P18031 1/20 0.55
ACP1 P24666 1/20 0.55
CDC25B P30305 1/20 0.55
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CNR2 P34972 1/20 0.52
PRSS1 P07477 1/20 0.51

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
SCHEMBL818473 1.00 ALDH1A1 (0.79) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL1790206 1.00 ALDH1A1 (0.79) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL10482944 1.00 ALDH1A1 (0.79) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL18473273 0.98 TSHR (0.79) ALDH1A1TSHRLMNACYP3A4MAPK1
Benzophenone SCHEMBL27409790 0.95 ALDH1A1 (0.82) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL818749 0.94 TSHR (0.78) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL11985705 0.92 ALDH1A1 (0.65) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL11985738 0.92 ALDH1A1 (0.68) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28231067 0.92 ALDH1A1 (0.71) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28229286 0.92 ALDH1A1 (0.71) ALDH1A1TSHRLMNACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200270469-A1 ACTIVE-ENERGY-RAY-POLYMERIZABLE INITIATOR, ACTIVE-ENERGY-RAY-POLYMERIZABLE COMPOSITION, ACTIVE-ENERGY-RAY-POLYMERIZABLE INK, INK STORAGE CONTAINER, IMAGE FORMING METHOD, AND IMAGE FORMING APPARATUS RICOH COMPANY, LTD. (JP) 2020-08-27 US disclosed
US-9580571-B2 Aromatic acylation with cyclic anhydride for plasticizer production EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2017-02-28 US disclosed
US-9512296-B2 Aromatic acylation with cyclic anhydride for plasticizer production EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2016-12-06 US disclosed
US-20140100383-A1 AROMATIC ACYLATION WITH CYCLIC ANHYDRIDE FOR PLASTICIZER PRODUCTION EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-04-10 US disclosed
US-20140100384-A1 AROMATIC ACYLATION WITH CYCLIC ANHYDRIDE FOR PLASTICIZER PRODUCTION EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-04-10 US disclosed
US-8604114-B2 Aromatic acylation with cyclic anhydride for plasticizer production EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2013-12-10 US disclosed
US-20110160371-A1 AROMATIC ACYLATION WITH CYCLIC ANHYDRIDE FOR PLASTICIZER PRODUCTION EXXONMOBILE RESEARCH AND ENGINEERING COMPANY (US) 2011-06-30 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 (3 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-20110160371-A1 AROMATIC ACYLATION WITH CYCLIC ANHYDRIDE FOR PLASTICIZER PRODUCTION ACAD11, ACOT7, ACOX3 ALDH1A1 312/4885TSHR 3934/4885LMNA 4020/4885
US-20140100383-A1 AROMATIC ACYLATION WITH CYCLIC ANHYDRIDE FOR PLASTICIZER PRODUCTION ACAD11, ACOT7, ACOX3 ALDH1A1 312/4885TSHR 3934/4885LMNA 4020/4885
US-20200270469-A1 ACTIVE-ENERGY-RAY-POLYMERIZABLE INITIATOR, ACTIVE-ENERGY-RAY-POLYMERIZABLE COMPOSITION, ACTIVE-ENERGY-RAY-POLYMERIZABLE INK, INK STORAGE CONTAINER, IMAGE FORMING METHOD, AND IMAGE FORMING APPARATUS ILK, NAP1L4, ORC3 ALDH1A1 1527/4885TSHR 4775/4885LMNA 1490/4885

“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.