SCHEMBL20527672

SCHEMBL20527672

COC(=O)c1cccc(C(NC2CCC(O)CC2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.43
CASR P41180 3/20 0.39
RBP4 P02753 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
USP30 Q70CQ3 1/20 0.36
ROCK2 O75116 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
HPGD P15428 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
EPHX2 P34913 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34

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
SCHEMBL8616092 0.80 ROCK2 (0.49) KDM4DCASRPTGS1PTGS2ROCK2
SCHEMBL29214272 0.76 PTGS1 (0.56) KDM4DCASRPTGS1PTGS2ALDH1A1
SCHEMBL15270318 0.74 KMT2A (0.47) PTGS1PTGS2ALDH1A1KMT2AGAA
SCHEMBL15270572 0.74 KMT2A (0.47) PTGS1PTGS2ALDH1A1KMT2AGAA
SCHEMBL27575328 0.72 SLC7A5 (0.44) KDM4DCASRPTGS1PTGS2ALDH1A1
SCHEMBL27486840 0.72 SLC7A5 (0.44) KDM4DCASRPTGS1PTGS2ALDH1A1
SCHEMBL27679309 0.72 SLC7A5 (0.43) KDM4DCASRPTGS1PTGS2ALDH1A1
SCHEMBL2423553 0.71 RAB9A (0.51) ALDH1A1KDM4EKMT2AHPGDEPHX2
SCHEMBL2423557 0.71 RAB9A (0.51) ALDH1A1KDM4EKMT2AHPGDEPHX2
SCHEMBL17594628 0.70 EED (0.55) KDM4DALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-10-11 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 (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-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF KDM1B, KDM1A, KDM2A KDM4D 33/4885CASR 4297/4885RBP4 3916/4885

“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.