SCHEMBL4093397

SCHEMBL4093397

CCc1cc(-c2ccc(C(=O)CCC(=O)NCCOC)cc2)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B1 P14061 1/20 0.45
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL4085481 0.81 MAPT (0.47) MAPTKMT2AHPGDSMN1; SMN2HSD17B1
SCHEMBL4085995 0.80 SMN1; SMN2 (0.54) MAPTKMT2AHPGDSMN1; SMN2CTNNB1
SCHEMBL4099539 0.80 HSD17B1 (0.64) KMT2AHSD17B1MEN1
SCHEMBL4103544 0.79 L3MBTL1 (0.54) MAPTKMT2AHPGDSMN1; SMN2HSD17B1
SCHEMBL4103497 0.78 KMT2A (0.53) TP53MAPTKMT2AHPGDSMN1; SMN2
SCHEMBL4094282 0.77 HSD17B1 (0.77) MAPTKMT2AHPGDHSD17B1CYP1A2
SCHEMBL4102509 0.74 HSD17B1 (0.62) MAPTKMT2AHPGDSMN1; SMN2HSD17B1
SCHEMBL4086023 0.73 HSD17B1 (0.64) KMT2AHPGDHSD17B1POLBMEN1
SCHEMBL4095528 0.72 ALDH1A1 (0.43) MAPTKMT2AHSD17B1CTNNB1WNT3A
SCHEMBL4098160 0.71 SRD5A2 (0.44) MAPTKMT2ASMN1; SMN2HSD17B1CTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 TP53 3592/4885MAPT 929/4885KMT2A 2145/4885

“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.