SCHEMBL4096434

SCHEMBL4096434

COc1ccc(-c2ccc(C(C)=O)cc2)cc1CCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.55
PDE4B Q07343 7/20 0.55
PDE4C Q08493 7/20 0.55
PDE4D Q08499 7/20 0.55
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LTB4R Q15722 1/20 0.47

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
SCHEMBL4085503 0.86 ABCB1 (0.54) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8891893 0.82 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL4086023 0.82 HSD17B1 (0.64) ALDH1A1
SCHEMBL4453829 0.80 ABCB1 (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL7741913 0.80 MAPT (0.70) ALDH1A1MAPTSMN1; SMN2
SCHEMBL8889271 0.80 NPC1 (0.51) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL12243162 0.75 MAPT (0.54) ALDH1A1MAPTSMN1; SMN2
SCHEMBL2354530 0.74 LMNA (0.77) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL31555136 0.74 ABCB1 (0.58)
SCHEMBL7734727 0.74 FFAR1 (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
EP-2013176-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER Sterix Limited (GB) 2009-01-14 EP disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 WO disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 WO 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 (1 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-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 PDE4A 1119/4885PDE4B 1296/4885PDE4C 1476/4885

“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.