SCHEMBL4096903

SCHEMBL4096903

COc1ccc(-c2ccccc2)cc1C#Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.50
HAO1 Q9UJM8 1/20 0.45
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
ACLY P53396 2/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
FFAR1 O14842 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 2/20 0.42
EGFR P00533 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.40
PTGDR2 Q9Y5Y4 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
SCHEMBL6005624 0.82 KCNH2 (0.50) AAK1HAO1PDGFRBPDGFRACYP1A2
SCHEMBL29123961 0.79 MAOB (0.57) ACLYKDM4EALDH1A1LMNA
SCHEMBL30657010 0.79 PDGFRB (0.51) AAK1HAO1PDGFRBPDGFRACYP1A2
SCHEMBL8083186 0.79 FFAR1 (0.57) AAK1CYP1A1CYP1A2CYP1B1FFAR1
SCHEMBL2774016 0.78 FFAR1 (0.60) AAK1HAO1PDGFRBPDGFRACYP1A2
SCHEMBL26259889 0.77 PDGFRB (0.54) AAK1HAO1PDGFRBPDGFRACYP1A2
SCHEMBL8891544 0.76 TTR (0.57) HAO1PDGFRBPDGFRACYP1A1CYP1A2
SCHEMBL8889823 0.76 CA12 (0.56) HAO1FFAR1LMNAPTGDR2
SCHEMBL12334022 0.75 GRM5 (0.44) AAK1HAO1PDGFRBPDGFRACYP1A2
SCHEMBL4269716 0.74 PDGFRB (0.54) AAK1PDGFRBPDGFRACYP1A1CYP1A2

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 AAK1 4736/4885HAO1 950/4885PDGFRB 3725/4885

“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.