SCHEMBL3704232

SCHEMBL3704232

C#CCCCCC#CCCCCCCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 2/20 0.44
MAPT P10636 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP3A4 P08684 3/20 0.42
USP2 O75604 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
ALOX15 P16050 1/20 0.31
PTPN7 P35236 3/20 0.31
HMGCR P04035 1/20 0.31

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
SCHEMBL3702711 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDCYP1A2MAPT
SCHEMBL7033625 0.97 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDCYP1A2MAPT
SCHEMBL8907249 0.92 HSD17B10 (0.50) ALDH1A1KDM4EHPGDCYP1A2MAPT
SCHEMBL18975256 0.92 HSD17B10 (0.50) ALDH1A1KDM4EHPGDCYP1A2MAPT
SCHEMBL135863 0.92 HSD17B10 (0.50) ALDH1A1KDM4EHPGDCYP1A2MAPT
SCHEMBL23014965 0.92 HSD17B10 (0.50) ALDH1A1KDM4EHPGDCYP1A2MAPT
SCHEMBL130671 0.92
SCHEMBL2335615 0.92 HSD17B10 (0.50) ALDH1A1KDM4EHPGDCYP1A2MAPT
SCHEMBL23014949 0.92 HSD17B10 (0.50) ALDH1A1KDM4EHPGDCYP1A2MAPT
SCHEMBL130493 0.92 HSD17B10 (0.50) ALDH1A1KDM4EHPGDCYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365183-B2 Eicosanoid derivatives MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (DE) 2022-06-21 US disclosed
US-20190315701-A1 NOVEL EICOSANOID DERIVATIVES MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (DE) 2019-10-17 US disclosed
US-10287262-B2 Eicosanoid derivatives MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (DE) 2019-05-14 US disclosed
EP-3222612-A1 NOVEL EICOSANOID DERIVATIVES Max-Delbrück-Centrum für Molekulare Medizin (MDC) (DE) 2017-09-27 EP disclosed
EP-2376432-B1 NOVEL EICOSANOID DERIVATIVES MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN (MDC) (DE) 2017-04-12 EP disclosed
EP-2376432-B1 NOVEL EICOSANOID DERIVATIVES MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN (MDC) (DE) 2017-04-12 EP disclosed
US-20160326128-A1 NOVEL EICOSANOID DERIVATIVES MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (DE) 2016-11-10 US disclosed
US-20160326128-A1 NOVEL EICOSANOID DERIVATIVES MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (DE) 2016-11-10 US disclosed
US-20160326128-A1 NOVEL EICOSANOID DERIVATIVES MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (DE) 2016-11-10 US disclosed
US-9272991-B2 Eicosanoid derivatives MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (MDC) (DE) 2016-03-01 US disclosed
US-9272991-B2 Eicosanoid derivatives MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (MDC) (DE) 2016-03-01 US disclosed
US-9272991-B2 Eicosanoid derivatives MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (MDC) (DE) 2016-03-01 US disclosed
US-20120122972-A1 NOVEL EICOSANOID DERIVATIVES MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (MDC) (DE) 2012-05-17 US disclosed
US-20120122972-A1 NOVEL EICOSANOID DERIVATIVES MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (MDC) (DE) 2012-05-17 US disclosed
US-20120122972-A1 NOVEL EICOSANOID DERIVATIVES MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (MDC) (DE) 2012-05-17 US disclosed
WO-2010081683-A1 NOVEL EICOSANOID DERIVATIVES Max-Delbrück-Centrum für Molekulare Medizin (DE) 2010-07-22 WO disclosed
EP-2208720-A1 Novel eicosanoid derivatives Max-Delbrück-Centrum für Molekulare Medizin (MDC) (DE) 2010-07-21 EP disclosed
EP-2208720-A1 Novel eicosanoid derivatives Max-Delbrück-Centrum für Molekulare Medizin (MDC) (DE) 2010-07-21 EP 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 (5 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-20120122972-A1 NOVEL EICOSANOID DERIVATIVES FABP3, PTGER3, PTGES3 ALDH1A1 646/4885KDM4E 4277/4885HPGD 175/4885
US-10287262-B2 Eicosanoid derivatives FABP3, PTGER3, PTGES3 ALDH1A1 708/4885KDM4E 4434/4885HPGD 151/4885
US-11365183-B2 Eicosanoid derivatives FABP3, PTGER3, PTGES3 ALDH1A1 708/4885KDM4E 4434/4885HPGD 151/4885
US-20160326128-A1 NOVEL EICOSANOID DERIVATIVES FABP3, PTGER3, PTGES3 ALDH1A1 710/4885KDM4E 4445/4885HPGD 167/4885
US-20190315701-A1 NOVEL EICOSANOID DERIVATIVES FABP3, PTGER3, PTGES3 ALDH1A1 710/4885KDM4E 4445/4885HPGD 167/4885

“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.