SCHEMBL19853585

SCHEMBL19853585

Cc1ccc(-c2cc(F)c(C)cc2F)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
GPR3 P46089 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PTGS2 P35354 2/20 0.33
ALDH1A1 P00352 2/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
LMNA P02545 1/20 0.33
ALPL P05186 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL24710388 0.82 GPR3 (0.43) GPR3ESR1ESR2PTGS2PTGS1
SCHEMBL12627935 0.79 MEN1 (0.46) PDE3BPDE3AGAAMAPTTDP1
SCHEMBL30069362 0.79 MEN1 (0.46) PDE3BPDE3AGAAMAPTTDP1
SCHEMBL3043421 0.79 TDP1 (0.52) GAAMAPTTDP1TP53ESR1
SCHEMBL31547677 0.79 TDP1 (0.52) GAAMAPTTDP1TP53ESR1
SCHEMBL19082509 0.79 CYP2A6 (0.47) PDE3BPDE3AGAAMAPTTDP1
SCHEMBL20228248 0.77 PTGS2 (0.50) PDE3BPDE3AGPR3PTGS2PTGS1
SCHEMBL19274153 0.76 AKR1C3 (0.36) PDE3BPDE3AGPR3PTGS2
SCHEMBL14850866 0.75 ELANE (0.45) PDE3BPDE3AGAAMAPTGPR3
SCHEMBL13520606 0.74 GRM2 (0.44) TDP1TP53ESR1ESR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10179124-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 US 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 (2 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-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PDE3B 568/4885PDE3A 444/4885GAA 209/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 PDE3B 568/4885PDE3A 444/4885GAA 209/4885

“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.