SCHEMBL4568455

SCHEMBL4568455

CCC(C)c1[nH]c2cc(OC)c(Cl)cc2c1Cc1cccc(C(=O)OC)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.40
PARP1 P09874 1/20 0.36
IDH1 O75874 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
PTGER1 P34995 3/20 0.35
GABRA1 P14867 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRA6 Q16445 2/20 0.35
KDM4E B2RXH2 1/20 0.34
GMNN O75496 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 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
SCHEMBL3704040 0.92 PTGER1 (0.43) MRGPRX4PTGER1
SCHEMBL4568456 0.92 MRGPRX4 (0.42) MRGPRX4PARP1IDH1MTNR1AMTNR1B
SCHEMBL4568454 0.85 MRGPRX4 (0.43) MRGPRX4PARP1IDH1MTNR1AMTNR1B
SCHEMBL4568459 0.84 KDM4E (0.40) MRGPRX4PARP1MTNR1AMTNR1BKDM4E
SCHEMBL3717010 0.83 PTGER1 (0.46) MRGPRX4PTGER1
SCHEMBL4568480 0.83 MRGPRX4 (0.42) MRGPRX4PARP1IDH1MTNR1AMTNR1B
SCHEMBL4568481 0.82 MRGPRX4 (0.40) MRGPRX4PARP1IDH1MTNR1AMTNR1B
SCHEMBL4568434 0.82 TUBB4A (0.44) MRGPRX4MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL4568597 0.81 MRGPRX4 (0.45) MRGPRX4PARP1IDH1MTNR1AMTNR1B
SCHEMBL4568596 0.81 PARP1 (0.38) MRGPRX4PARP1IDH1MTNR1AMTNR1B

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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R MRGPRX4 273/4885PARP1 2429/4885IDH1 2864/4885

“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.