SCHEMBL9611565

SCHEMBL9611565

CC(C)C=C1c2ccccc2Sc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
CYP2C19 P33261 4/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
LMNA P02545 3/20 0.38
CYP1A2 P05177 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
CHRM2 P08172 2/20 0.38
HTR1A P08908 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
CHRM1 P11229 2/20 0.38
DRD1 P21728 2/20 0.38
TBXA2R P21731 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38

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
SCHEMBL4558454 0.76 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTHSD17B10SIGMAR1
SCHEMBL13717017 0.72 LMNA (0.40) ALDH1A1KDM4EMAPTHSD17B10CYP2C19
SCHEMBL1100511 0.71 MAPT (0.54) ALDH1A1KDM4EMAPTCYP2C19CYP3A4
SCHEMBL8286839 0.71 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTHSD17B10SIGMAR1
SCHEMBL5604281 0.71 SIGMAR1 (0.49) ALDH1A1KDM4EMAPTHSD17B10SIGMAR1
SCHEMBL19537629 0.69 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTHSD17B10CYP2C19
SCHEMBL17073678 0.69 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTHSD17B10CYP2C19
SCHEMBL16617492 0.68 CYP19A1 (0.45) ALDH1A1KDM4EMAPTHSD17B10SIGMAR1
SCHEMBL11756278 0.67 ADORA3 (0.44) ALDH1A1KDM4EMAPTHSD17B10CYP2C19
SCHEMBL16363784 0.66 ADORA3 (0.52) ALDH1A1KDM4EMAPTHSD17B10CYP2C19

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-20180071279-A1 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE AND ISCHEMIC DISORDERS THE GENERAL HOSPITAL CORPORATION 2018-03-15 US disclosed
US-20160324850-A1 Methods and Compositions for Treating Degenerative and Ischemic Disorders THE GENERAL HOSPITAL CORPORATION 2016-11-10 US disclosed
US-9399032-B2 Methods and compositions for treating degenerative and ischemic disorders THE GENERAL HOSPITAL CORPORATION (US) 2016-07-26 US disclosed
US-20120136007-A1 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE AND ISCHEMIC DISORDERS THE GENERAL HOSPITAL CORPORATION (US) 2012-05-31 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-20180071279-A1 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE AND ISCHEMIC DISORDERS PINK1, PC, PCK2 ALDH1A1 1031/4885KDM4E 2021/4885MAPT 493/4885
US-20120136007-A1 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE AND ISCHEMIC DISORDERS PINK1, PC, PCK2 ALDH1A1 1031/4885KDM4E 2021/4885MAPT 493/4885
US-20160324850-A1 Methods and Compositions for Treating Degenerative and Ischemic Disorders PINK1, PC, PCK2 ALDH1A1 1031/4885KDM4E 2021/4885MAPT 493/4885

“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.