SCHEMBL21747501

SCHEMBL21747501

CCCC(CCC)(C(=O)OCC)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
POLB P06746 1/20 0.48
PIN1 Q13526 1/20 0.47
LMNA P02545 2/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 1/20 0.44
SRC P12931 1/20 0.44
RECQL P46063 1/20 0.42
MMP8 P22894 1/20 0.42
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
CES1 P23141 1/20 0.40
MAPK1 P28482 1/20 0.40
CTNNB1 P35222 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL2049968 0.83 CES1 (0.44) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL28944445 0.81 NPSR1 (0.49) NPSR1POLBPIN1LMNAALDH1A1
SCHEMBL9437357 0.80 PIN1 (0.53) NPSR1POLBPIN1LMNAALDH1A1
SCHEMBL7616395 0.79 ALDH1A1 (0.48) PIN1ALDH1A1MEN1KMT2AMAPT
SCHEMBL28653958 0.79 ALDH1A1 (0.50) NPSR1PIN1LMNAALDH1A1MEN1
SCHEMBL29256551 0.78 ALDH1A1 (0.54) NPSR1POLBPIN1LMNAALDH1A1
SCHEMBL9437333 0.78 MEN1 (0.51) NPSR1POLBPIN1LMNAALDH1A1
SCHEMBL28458817 0.78 SRC (0.66) NPSR1POLBPIN1LMNAALDH1A1
SCHEMBL4621876 0.78 PIN1 (0.51) NPSR1POLBPIN1LMNAALDH1A1
SCHEMBL8679766 0.78 PIN1 (0.51) NPSR1POLBPIN1LMNAALDH1A1

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
EP-3613733-B1 NOVEL CRYSTALLINE SOLID COMPOUND OF 3-PHENYL-4-PROPYL-1-(PYRIDIN-2-YL)-1H-PYRAZOL-5-OL HYDROCHLORIDE APTABIO THERAPEUTICS INC (KR) 2022-07-20 EP disclosed
US-11174240-B2 Crystalline solid compound of 3-phenyl-4-propyl-1-(pyridin-2-yl)-1H-pyrazol-5-ol hydrochloride APTABIO THERAPEUTICS INC. (KR) 2021-11-16 US disclosed
US-20210122726-A1 NOVEL CRYSTALLINE SOLID COMPOUND OF 3-PHENYL-4-PROPYL-1-(PYRIDIN-2-YL)-1H-PYRAZOL-5-OL HYDROCHLORIDE APTABIO THERAPEUTICS INC. (KR) 2021-04-29 US disclosed
EP-3613733-A1 NOVEL CRYSTALLINE SOLID COMPOUND OF 3-PHENYL-4-PROPYL-1-(PYRIDIN-2-YL)-1H-PYRAZOL-5-OL HYDROCHLORIDE Aptabio Therapeutics Inc. (KR) 2020-02-26 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 (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-20210122726-A1 NOVEL CRYSTALLINE SOLID COMPOUND OF 3-PHENYL-4-PROPYL-1-(PYRIDIN-2-YL)-1H-PYRAZOL-5-OL HYDROCHLORIDE PLK3, PDXK, KLK5 NPSR1 3292/4885POLB 2700/4885PIN1 2694/4885
US-11174240-B2 Crystalline solid compound of 3-phenyl-4-propyl-1-(pyridin-2-yl)-1H-pyrazol-5-ol hydrochloride PLK3, PRNP, PDXK NPSR1 3177/4885POLB 3017/4885PIN1 1952/4885

“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.