SCHEMBL4092508

SCHEMBL4092508

O=C(CCC(=O)c1ccc(Oc2ccc(O)cc2)cc1)NCCc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.49
HSD17B1 P14061 1/20 0.48
LMNA P02545 2/20 0.48
MMP13 P45452 1/20 0.48
ESR1 P03372 2/20 0.46
CYP19A1 P11511 2/20 0.46
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PTAFR P25105 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL4093157 0.90 LMNA (0.61) MMP1HSD17B1LMNAMMP13PTAFR
SCHEMBL4085277 0.89 HSD17B1 (0.60) MMP1HSD17B1LMNAMMP13KMT2A
SCHEMBL16610103 0.81 CYP3A4 (0.61) LMNAHDAC2HDAC8HDAC6PTAFR
SCHEMBL4093192 0.79 GAA (0.67) HSD17B1LMNAMMP13ALDH1A1GAA
SCHEMBL4091376 0.79 SMN1; SMN2 (0.53) MMP1KMT2AMEN1ALDH1A1NPC1
SCHEMBL8739011 0.77 RAB9A (0.66) LMNAMMP13HDAC2HDAC8HDAC6
SCHEMBL4094136 0.76 HSD17B1 (0.82) HSD17B1HDAC2HDAC8HDAC6PTAFR
SCHEMBL16353647 0.76 TBXAS1 (0.61) PTAFRKMT2AMEN1ALDH1A1GAA
SCHEMBL4095399 0.76 HSD17B1 (0.77) HSD17B1LMNAMMP13ALDH1A1GAA
SCHEMBL18381213 0.74 CYP3A4 (0.60) LMNAHDAC2HDAC8HDAC6PTAFR

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-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
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 MMP1 660/4885HSD17B1 4/4885LMNA 1964/4885

“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.