SCHEMBL715037

SCHEMBL715037

CC1CN(CC(=O)O)CCO1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
PDK1 Q15118 2/20 0.43
KDM1A O60341 1/20 0.38
WNT1 P04628 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
DRD1 P21728 1/20 0.37
GLRA1 P23415 1/20 0.36
GLA P06280 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
GRM2 Q14416 2/20 0.33
MCHR1 Q99705 1/20 0.33
KCNH2 Q12809 1/20 0.33
CBLB Q13191 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
SCHEMBL28864611 1.00 HSD17B10 (0.50) HSD17B10PDK1KDM1AWNT1GSK3B
SCHEMBL28864627 1.00 HSD17B10 (0.50) HSD17B10PDK1KDM1AWNT1GSK3B
Hydrochloric Acid SCHEMBL5092822 0.98 HSD17B10 (0.48) HSD17B10PDK1KDM1AWNT1GSK3B
Trifluoroacetic Acid SCHEMBL28864626 0.91 HSD17B10 (0.42) HSD17B10PDK1KDM1AWNT1GSK3B
Trifluoroacetic Acid SCHEMBL28864610 0.91 HSD17B10 (0.42) HSD17B10PDK1KDM1AWNT1GSK3B
SCHEMBL8570719 0.85 PDK1 (0.43) HSD17B10PDK1KDM1AWNT1GSK3B
SCHEMBL24576809 0.84 KDM4E (0.53) PDK1KDM1AWNT1GSK3BDYRK1A
SCHEMBL12234170 0.84 KDM4E (0.53) PDK1KDM1AWNT1GSK3BDYRK1A
SCHEMBL28966115 0.84 PDK1 (0.42) HSD17B10PDK1KDM1AWNT1GSK3B
SCHEMBL500093 0.82 GLA (0.53) HSD17B10PDK1KDM1AWNT1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115244047-A Indazole derivative and application thereof in medicine 四川海思科制药有限公司 2022-10-25 CN disclosed
US-8586638-B2 Parakeratosis inhibitor and skin preparation for external use SHISEIDO COMPANY, LTD (JP) 2013-11-19 US disclosed
US-20120253064-A1 PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE SHISEIDO COMPANY, LTD. (JP) 2012-10-04 US disclosed
EP-2491980-A2 Parakeratosis inhibitor and skin preparation for external use SHISEIDO COMPANY LIMITED (JP) 2012-08-29 EP disclosed
EP-2491981-A2 Parakeratosis inhibitor and external composition for skin SHISEIDO COMPANY LIMITED (JP) 2012-08-29 EP disclosed
US-20120053243-A1 PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE SHISEIDO COMPANY, LTD. (JP) 2012-03-01 US disclosed
US-20070225380-A1 Parakeratosis Inhibitor and Skin Preparation for External use SHISEIDO COMPANY LTD. (JP) 2007-09-27 US disclosed
EP-1688126-A1 PARAKERATOSIS INHIBITOR AND EXTERNAL COMPOSITION FOR SKIN SHISEIDO COMPANY LIMITED (JP) 2006-08-09 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 (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-20120053243-A1 PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE CUTA, HPN, DNPEP HSD17B10 3755/4885PDK1 227/4885KDM1A 341/4885
US-20120253064-A1 PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE CUTA, HPN, PRSS1 HSD17B10 3957/4885PDK1 798/4885KDM1A 643/4885
US-20070225380-A1 Parakeratosis Inhibitor and Skin Preparation for External use CUTA, HPN, DNPEP HSD17B10 3755/4885PDK1 227/4885KDM1A 341/4885

“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.