SCHEMBL18705804

SCHEMBL18705804

CCn1ccc(=O)c2ccc(C(=O)O)cc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 8/20 0.46
POLB P06746 1/20 0.44
PARP1 P09874 1/20 0.42
HCAR3 P49019 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39

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
SCHEMBL27480265 0.88 KDM4E (0.46) POLBHCAR3ALDH1A1HPGDKDM4E
SCHEMBL5387046 0.80 MCL1 (0.53) POLBHCAR3ALDH1A1HPGDKDM4E
SCHEMBL30622502 0.80 MCL1 (0.53) POLBHCAR3ALDH1A1HPGDKDM4E
SCHEMBL10375756 0.78 KCNA3 (0.44) ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7291102 0.78 PGR (0.41) KDM4E
SCHEMBL27679944 0.77 SLC22A12 (0.50) SLC22A12POLBHCAR3ALDH1A1HPGD
SCHEMBL5387474 0.76 TUBB4A (0.59) HCAR3ALDH1A1KDM4EKMT2A
SCHEMBL16899563 0.76 RHEB (0.48) SLC22A12POLBHCAR3ALDH1A1HPGD
SCHEMBL27764791 0.76 SLC22A12 (0.49) SLC22A12POLBHCAR3ALDH1A1HPGD
SCHEMBL9593644 0.75 DRD3 (0.45) POLBALDH1A1HPGDKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US disclosed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP disclosed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 SLC22A12 3538/4885POLB 2497/4885PARP1 615/4885

“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.