SCHEMBL2880798

SCHEMBL2880798

CCC(CC)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
KEAP1 Q14145 1/20 0.38
MAPT P10636 1/20 0.36
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
GAPDH P04406 1/20 0.35
POLB P06746 1/20 0.35
PTPN7 P35236 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2D6 P10635 2/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CNR2 P34972 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
SCHEMBL28785571 0.91 LMNA (0.35) ALOX5CES2CES1KEAP1MAPT
SCHEMBL827372 0.87 ALOX5 (0.35) ALOX5CES2CES1KEAP1MAPT
SCHEMBL8107643 0.87 ALOX5 (0.39) ALOX5CES2CES1KEAP1MAPT
SCHEMBL9130249 0.87 ALOX5 (0.39) ALOX5CES2CES1KEAP1TSHR
SCHEMBL439568 0.87 TAS1R3 (0.36) ALOX5CES2CES1KEAP1MAPT
SCHEMBL9883154 0.84 SLC6A2 (0.42) ALOX5CES2CES1KEAP1MAPT
SCHEMBL17787300 0.84 ALOX5 (0.37) ALOX5CES2CES1KEAP1TSHR
SCHEMBL2887376 0.84 KDM4E (0.44) ALOX5CES2CES1KEAP1TSHR
SCHEMBL598926 0.82 KDM4E (0.40) ALOX5TSHRRAB9ANPC1KMT2A
SCHEMBL14777613 0.82 ALOX5 (0.36) ALOX5CES2CES1KEAP1MAPT

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111408412-B Catalyst composition, preparation method thereof and application thereof in reaction of synthesizing 1-butene by ethylene selective dimerization 中国石油化工股份有限公司 2023-05-09 CN disclosed
US-20160008339-A1 PSORALEN DERIVATIVES FOR PREVENTING OR TREATING HEART FAILURE OR CARDIAC HYPERTROPHY MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2016-01-14 US disclosed
US-8754175-B2 Monocapped conductive polymers with alkenyl or alkynyl end groups and block copolymers therefrom CARNEGIE MELLON UNIVERSITY (US) 2014-06-17 US disclosed
US-8379369-B2 Base material for solid electrolytic capacitor, capacitor using the base material, and method for manufacturing the capacitor MURATA MANUFACTURING CO., LTD. (JP) 2013-02-19 US disclosed
US-20120190868-A1 SUBSTITUTED BENZOCHALCOGENOACENE COMPOUND, THIN FILM COMPRISING THE COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE INCLUDING THE THIN FILM NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-07-26 US disclosed
US-7848083-B2 Solid electrolytic capacitor and method for manufacturing same MURATA MANUFACTURING CO., LTD. (JP) 2010-12-07 US disclosed
US-20100117030-A1 Monocapped conductive polymers with alkenyl or alkynyl end groups and block copolymers therefrom CARNEGIE MELLON UNIVERSITY 2010-05-13 US disclosed
US-20100103589-A1 BASE MATERIAL FOR SOLID ELECTROLYTIC CAPACITOR, CAPACITOR USING THE BASE MATERIAL, AND METHOD FOR MANUFACTURING THE CAPACITOR SHOWA DENKO K.K. (JP) 2010-04-29 US disclosed
US-20100039751-A1 SOLID ELECTROLYTIC CAPACITOR AND METHOD FOR MANUFACTURING SAME SHOWA DENKO K.K. (JP) 2010-02-18 US disclosed
US-7662971-B2 enzyme inhibitor for treating sleep disorders THE SCRIPPS RESEARCH INSTITUTE (US) 2010-02-16 US disclosed
US-4260745-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1981-04-07 US disclosed
US-4252950-A ANTIBIOTICS, BACTERICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1981-02-24 US disclosed
US-4208515-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1980-06-17 US disclosed
US-4065621-A Process for 3-alkyl and 3-phenyl cephalosporins ELI LILLY AND COMPANY (US) 1977-12-27 US disclosed
US-4065618-A Process for 3-H-3-cephem esters ELI LILLY AND COMPANY (US) 1977-12-27 US disclosed
US-4064343-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-20 US disclosed
US-4013651-A 3-SUBSTITUTED AMINO-CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1977-03-22 US disclosed
US-3992377-A 3-Thio-substituted cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1976-11-16 US disclosed
US-3985737-A ANTIBACTERIAL AGENTS ELI LILLY AND COMPANY (US) 1976-10-12 US disclosed
US-3962227-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-06-08 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 (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-20160008339-A1 PSORALEN DERIVATIVES FOR PREVENTING OR TREATING HEART FAILURE OR CARDIAC HYPERTROPHY PAH, P4HA1, NPR3 ALOX5 296/4885CES2 4295/4885CES1 789/4885
US-20120190868-A1 SUBSTITUTED BENZOCHALCOGENOACENE COMPOUND, THIN FILM COMPRISING THE COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE INCLUDING THE THIN FILM EBPL, SAAL1, APOL1 ALOX5 2179/4885CES2 642/4885CES1 1021/4885

“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.