SCHEMBL6527328

SCHEMBL6527328

CCC(OC)C(=O)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 6/20 0.64
HDAC2 Q92769 2/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
PARP1 P09874 1/20 0.51
PARP10 Q53GL7 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
ATM Q13315 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL6167902 0.87 HDAC2 (0.64) KLK7HDAC2MEN1KMT2APARP1
SCHEMBL7801726 0.87 HDAC2 (0.64) KLK7HDAC2MEN1KMT2APARP1
SCHEMBL11089899 0.85 PARP1 (0.68) KLK7HDAC2MEN1KMT2APARP1
SCHEMBL7800401 0.85 ALDH1A1 (0.55) KLK7MEN1KMT2AALDH1A1MAPT
SCHEMBL7800402 0.85 ALDH1A1 (0.55) KLK7MEN1KMT2AALDH1A1MAPT
SCHEMBL29006058 0.83 HDAC2 (0.57) KLK7HDAC2MEN1KMT2APARP1
SCHEMBL13345388 0.83 HDAC2 (0.57) KLK7HDAC2MEN1KMT2APARP1
SCHEMBL7797349 0.83 KLK7 (0.61) KLK7MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7815830 0.82 ALDH1A1 (0.59) KLK7MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL13345389 0.81 HDAC2 (0.69) KLK7HDAC2PARP1PARP10GAA

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-20170044107-A1 Inhibitors of JMJD2C as Anticancer Agents THE J. DAVID GLADSTONE INSTITUTES 2017-02-16 US disclosed
WO-2005039565-A1 COMBINATIONS OF COX AND VASOPRESSIN INHIBITORS FOR THE TREATMENT OF DISMENORRHEA PFIZER LIMITED (GB) 2005-05-06 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-20170044107-A1 Inhibitors of JMJD2C as Anticancer Agents KDM2A, KDM1B, KDM5C KLK7 1651/4885HDAC2 87/4885MEN1 2845/4885

“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.