SCHEMBL20857043

SCHEMBL20857043

O=C(CCl)N1CCCC(Oc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 1/20 0.50
TEAD4 Q15561 1/20 0.50
KMT2A Q03164 1/20 0.49
EPHX2 P34913 3/20 0.49
CYP2C9 P11712 1/20 0.48
CYP2J2 P51589 1/20 0.48
SCD O00767 1/20 0.47
SCD5 Q86SK9 1/20 0.46
SRD5A1 P18405 1/20 0.46
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
FAAH O00519 1/20 0.46
POLB P06746 1/20 0.45
NAMPT P43490 1/20 0.45
LIPE Q05469 1/20 0.45

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
SCHEMBL4578078 0.94 YAP1 (0.55) YAP1TEAD4KMT2AEPHX2CYP2C9
SCHEMBL4576825 0.82 EPHX2 (0.56) KMT2AEPHX2CYP2C9CYP2J2POLB
SCHEMBL6443537 0.81 MLNR (0.55) KMT2AEPHX2POLBLIPE
SCHEMBL4577583 0.81 EPHX2 (0.52) KMT2AEPHX2POLBLIPE
SCHEMBL4578845 0.79 EPHX2 (0.58) EPHX2CYP2C9CYP2J2SCD5SRD5A1
SCHEMBL10606771 0.78 EPHX2 (0.60) EPHX2CYP2C9CYP2J2SCD5SRD5A1
SCHEMBL10313329 0.78 KMT2A (0.67) KMT2ASCDPOLBNAMPT
SCHEMBL5271411 0.78 EPHX2 (0.59) EPHX2CYP2C9CYP2J2SCD5SRD5A1
SCHEMBL17422616 0.77 EPHX2 (0.56) KMT2AEPHX2CYP2C9CYP2J2FAAH
SCHEMBL22387771 0.76 GPR119 (0.60) KMT2A

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-20200278355-A1 CONJUGATED PROTEINS AND USES THEREOF SCRIPPS RESEARCH INST (US) 2020-09-03 US disclosed
US-20200278355-A1 CONJUGATED PROTEINS AND USES THEREOF SCRIPPS RESEARCH INST (US) 2020-09-03 US disclosed
EP-3688472-A1 CONJUGATED PROTEINS AND USES THEREOF The Scripps Research Institute (US) 2020-08-05 EP disclosed
WO-2019067741-A1 CONJUGATED PROTEINS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2019-04-04 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-20200278355-A1 CONJUGATED PROTEINS AND USES THEREOF KEAP1, GSTK1, GSTM2 YAP1 142/4885TEAD4 1097/4885KMT2A 3092/4885

“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.