SCHEMBL552474

SCHEMBL552474

CCOC(=O)c1ccc2c(c1)CCCC2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPK1 P28482 2/20 0.53
MAPT P10636 4/20 0.51
KDM4E B2RXH2 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HSD17B10 Q99714 2/20 0.51
ALOX15 P16050 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
PRKCI P41743 1/20 0.50
SRD5A1 P18405 1/20 0.50
SRD5A2 P31213 1/20 0.50
BAZ2B Q9UIF8 1/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49

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
SCHEMBL4179934 0.91 SRD5A1 (0.55) ALDH1A1MAPK1MAPTKDM4ESMN1; SMN2
SCHEMBL10443684 0.85 CA12 (0.57) ALDH1A1MAPK1MAPTKDM4ESMN1; SMN2
SCHEMBL17332111 0.84 PRF1 (0.46) ALDH1A1MAPK1MAPTKDM4ESMN1; SMN2
SCHEMBL353895 0.84 BAZ2B (0.56) ALDH1A1MAPK1MAPTKDM4ESMN1; SMN2
SCHEMBL16329478 0.83 ALDH1A1 (0.56) ALDH1A1MAPK1MAPTKDM4ESMN1; SMN2
SCHEMBL31359527 0.83 ALDH1A1 (0.56) ALDH1A1MAPK1MAPTKDM4ESMN1; SMN2
SCHEMBL13727452 0.81 BAZ2B (0.52) ALDH1A1MAPK1MAPTKDM4ESMN1; SMN2
SCHEMBL17400409 0.81 HSD17B1 (0.56) ALDH1A1MAPK1MAPTMAOASRD5A1
SCHEMBL457941 0.80 CA12 (0.56) ALDH1A1MAPK1MAPTKDM4ESMN1; SMN2
SCHEMBL31337617 0.79 BRD4 (0.55) ALDH1A1MAPK1MAPTKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024093956-A1 POLYCYCLIC POLY(ADP-RIBOSE) POLYMERASE SELECTIVE INHIBITOR 山东轩竹医药科技有限公司 2024-05-10 WO disclosed
US-20120035131-A1 PYRAZOLINE COMPOUNDS PFIZER INC 2012-02-09 US disclosed
EP-2089367-B1 PYRAZOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2011-12-14 EP disclosed
US-20100280016-A1 PYRAZOLINE COMPOUNDS PFIZER INC 2010-11-04 US disclosed
US-7781428-B2 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents PFIZER INC. (US) 2010-08-24 US disclosed
EP-2089367-A1 PYRAZOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2009-08-19 EP disclosed
US-20080167294-A1 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents PFIZER, INC (US) 2008-07-10 US disclosed
WO-2008053300-A1 PYRAZOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-05-08 WO disclosed
EP-0135177-B1 BENZOCYCLOALKANE DERIVATIVES DAIICHI SEIYAKU CO., LTD. (JP) 1989-12-06 EP disclosed
US-4777257-A CARDIOVASCULAR DISORDERS DAIICHI SEIYAKU CO., LTD. (JP) 1988-10-11 US disclosed
US-4665188-A Certain [(1-imidazolyl)-lower-alkylene]-tetrahydronaphthalenecarboxylic acids or corresponding idan-carboxylic acids which are thromboxane A2 DAIICHI SEIYAKU CO., LTD. (JP) 1987-05-12 US disclosed
EP-0135177-A2 Benzocycloalkane derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1985-03-27 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-20120035131-A1 PYRAZOLINE COMPOUNDS F12, CYP3A7, ABCG2 ALDH1A1 1197/4885MAPK1 2535/4885MAPT 3184/4885
US-20100280016-A1 PYRAZOLINE COMPOUNDS F12, CYP3A7, ABCG2 ALDH1A1 1197/4885MAPK1 2535/4885MAPT 3184/4885
US-20080167294-A1 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents REN, F3, EDNRB ALDH1A1 279/4885MAPK1 1674/4885MAPT 4195/4885

“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.