SCHEMBL8448307

SCHEMBL8448307

CCOC(=O)CCc1c[nH]cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.45
CYP4A11 Q02928 3/20 0.45
MAPT P10636 1/20 0.43
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP4Z1 Q86W10 1/20 0.37
TNF P01375 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
ALOX5 P09917 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
SCHEMBL4385060 0.91 CYP1A2 (0.46) CYP4F2CYP4A11MAPTCYP1A2CYP3A4
SCHEMBL7420112 0.86 LTA4H (0.42) CYP4F2CYP4A11MAPTALDH1A1
SCHEMBL11296881 0.84 CTDSP1 (0.38) MAPTLMNAALDH1A1KDM4EHSD17B10
SCHEMBL9555487 0.83 LTA4H (0.46) CYP4F2CYP4A11MAPTCYP1A2CYP3A4
SCHEMBL1039137 0.83 TSHR (0.40) MAPTLMNAALDH1A1KDM4EHSD17B10
SCHEMBL1441637 0.83 KMT2A (0.44) LMNAALDH1A1KDM4EHSD17B10CYP2C9
Hydrochloric Acid SCHEMBL1039136 0.82 TSHR (0.39) MAPTLMNAALDH1A1KDM4EHSD17B10
SCHEMBL18381220 0.81 CYP3A4 (0.45) MAPTALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL9642033 0.81 TSHR (0.41) MAPTALDH1A1KDM4EHSD17B10L3MBTL1
Hydrochloric Acid SCHEMBL9547309 0.79 DGAT1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10475593-B2 Use of halogen derivatives of histidine as electrolytic salt in a photovoltaic dye cell CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-11-12 US disclosed
US-10475593-B2 Use of halogen derivatives of histidine as electrolytic salt in a photovoltaic dye cell CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-11-12 US disclosed
EP-3215494-B1 USE OF HALOGEN DERIVATIVES OF HISTIDINE AS ELECTROLYTIC SALT IN A PHOTOVOLTAIC DYE CELL CENTRE NAT RECH SCIENT (FR) 2018-12-12 EP disclosed
US-20170323732-A1 USE OF HALOGEN DERIVATIVES OF HISTIDINE AS ELECTROLYTIC SALT IN A PHOTOVOLTAIC DYE CELL UNIVERSITE DE PICARDIE JULES VERNE (FR) 2017-11-09 US disclosed
US-20170323732-A1 USE OF HALOGEN DERIVATIVES OF HISTIDINE AS ELECTROLYTIC SALT IN A PHOTOVOLTAIC DYE CELL UNIVERSITE DE PICARDIE JULES VERNE (FR) 2017-11-09 US disclosed
US-20170323732-A1 USE OF HALOGEN DERIVATIVES OF HISTIDINE AS ELECTROLYTIC SALT IN A PHOTOVOLTAIC DYE CELL UNIVERSITE DE PICARDIE JULES VERNE (FR) 2017-11-09 US disclosed
EP-3215494-A1 USE OF HALOGEN DERIVATIVES OF HISTIDINE AS ELECTROLYTIC SALT IN A PHOTOVOLTAIC DYE CELL Centre National De La Recherche Scientifique (FR) 2017-09-13 EP disclosed
WO-2016071637-A1 USE OF HALOGEN DERIVATIVES OF HISTIDINE AS ELECTROLYTIC SALT IN A PHOTOVOLTAIC DYE CELL CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-05-12 WO disclosed
WO-2016071637-A1 USE OF HALOGEN DERIVATIVES OF HISTIDINE AS ELECTROLYTIC SALT IN A PHOTOVOLTAIC DYE CELL CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-05-12 WO disclosed
US-5856326-A ANTITUMOR, ANTICANCER AGENTS MERCK & CO., INC. (US) 1999-01-05 US disclosed
CN-1195340-A Inhibitors of farnesyl-protein transferase MERCK & CO INC (US) 1998-10-07 CN disclosed
EP-0820445-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-28 EP disclosed
WO-1996030343-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO disclosed
US-4652519-A Bifunctional chelating agents and process for their production YEDA RESEARCH AND DEVELOPMENT COMPANY LIMITED (IL) 1987-03-24 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 (2 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-20170323732-A1 USE OF HALOGEN DERIVATIVES OF HISTIDINE AS ELECTROLYTIC SALT IN A PHOTOVOLTAIC DYE CELL HDHD5, HCLS1, HCN1 CYP4F2 1820/4885CYP4A11 3801/4885MAPT 2670/4885
US-10475593-B2 Use of halogen derivatives of histidine as electrolytic salt in a photovoltaic dye cell HDHD5, HCLS1, HCN1 CYP4F2 1820/4885CYP4A11 3801/4885MAPT 2670/4885

“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.