SCHEMBL18917596

SCHEMBL18917596

OCC#Cc1cccc(C#CCO)c1.OCCCc1cccc(CCCO)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
TBXA2R P21731 1/20 0.39
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MELK Q14680 1/20 0.36
FFAR1 O14842 3/20 0.36
NOS1 P29475 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ASIC3 Q9UHC3 1/20 0.33
EGFR P00533 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33

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
SCHEMBL232872 0.82 TAAR1 (0.40) HTR2CHTR2BALDH1A1MELKFFAR1
SCHEMBL5633251 0.82 ALDH1A1 (0.47) HTR2CHTR2BALDH1A1MELKFFAR1
SCHEMBL241880 0.80 CYP4F2 (0.53) CYP4F2CYP4A11TBXA2RLTA4HEPHX2
SCHEMBL23720099 0.78 CYP4F2 (0.42) CYP4F2CYP4A11TBXA2RLTA4HEPHX2
SCHEMBL236362 0.77 CYP4F2 (0.43) CYP4F2CYP4A11TBXA2RLTA4HEPHX2
SCHEMBL3864906 0.77 ASIC3 (0.38) HTR2CHTR2BASIC3
SCHEMBL1244860 0.77 FFAR1 (0.51) ALDH1A1MELKFFAR1NOS1EGFR
SCHEMBL232937 0.75 HTR2C (0.47) HTR2CHTR2BALDH1A1FFAR1ASIC3
SCHEMBL2180350 0.74 HTR2C (0.51) HTR2CHTR2BALDH1A1ASIC3EGFR
SCHEMBL612967 0.74 PTGES (0.47) CYP4F2CYP4A11LTA4HEPHX2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220023827-A1 EMM-41 Composition, Methods of Making and Uses Thereof EXXONMOBIL RES & ENG CO (US) 2022-01-27 US disclosed
US-20190218106-A1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE EXXONMOBIL RES & ENG CO (US) 2019-07-18 US disclosed
US-10252918-B2 EMM-28, a novel synthetic crystalline material, its preparation and use EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2019-04-09 US disclosed
US-20170158521-A1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2017-06-08 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 (4 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-20220023827-A1 EMM-41 Composition, Methods of Making and Uses Thereof CD14, CD68, MASP2 CYP4F2 3757/4885CYP4A11 3308/4885TBXA2R 3591/4885
US-10252918-B2 EMM-28, a novel synthetic crystalline material, its preparation and use CD14, ERG28, DAP3 CYP4F2 2148/4885CYP4A11 3171/4885TBXA2R 4396/4885
US-20170158521-A1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE CD14, ERG28, DAP3 CYP4F2 2148/4885CYP4A11 3171/4885TBXA2R 4396/4885
US-20190218106-A1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE CD14, ERG28, DAP3 CYP4F2 2148/4885CYP4A11 3171/4885TBXA2R 4396/4885

“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.