SCHEMBL4104417

SCHEMBL4104417

C=C1CCC2C(C)(C)CCCC2(C)C1C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.54
PTPN2 P17706 2/20 0.54
PNLIP P16233 3/20 0.47
CYP19A1 P11511 3/20 0.44
RPS6KA5 O75582 3/20 0.40
MAPKAPK2 P49137 3/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
TRPV1 Q8NER1 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL30105484 1.00 PTPN1 (0.54) PTPN1PTPN2PNLIPCYP19A1RPS6KA5
SCHEMBL4104413 0.82 PTPN1 (0.54) PTPN1PTPN2PNLIPCYP19A1RPS6KA5
SCHEMBL26250198 0.79 ALDH1A1 (0.46) PTPN1PTPN2PNLIPCYP19A1RPS6KA5
SCHEMBL25436073 0.78 PTPN2 (0.64) PTPN1PTPN2PNLIPCYP19A1RPS6KA5
SCHEMBL25435120 0.78 PTPN2 (0.64) PTPN1PTPN2PNLIPCYP19A1RPS6KA5
SCHEMBL25433754 0.78 PTPN2 (0.64) PTPN1PTPN2PNLIPCYP19A1RPS6KA5
SCHEMBL25434992 0.78 PTPN2 (0.64) PTPN1PTPN2PNLIPCYP19A1RPS6KA5
SCHEMBL25394431 0.77 PTPN2 (0.67) PTPN1PTPN2PNLIPCYP19A1RPS6KA5
SCHEMBL25395835 0.77 PNLIP (0.58) PTPN1PTPN2PNLIPCYP19A1RPS6KA5
SCHEMBL25395895 0.77 PTPN2 (0.67) PTPN1PTPN2PNLIPCYP19A1RPS6KA5

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-20090076136-A1 THERAPEUTIC AGENT ENOKI TATSUJI 2009-03-19 US disclosed
US-20070060641-A1 Therapeutic agent TAKARA BIO INC. (JP) 2007-03-15 US disclosed
EP-1627632-A1 THERAPEUTIC AGENT TAKARA BIO INC. (JP) 2006-02-22 EP 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 (2 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-20090076136-A1 THERAPEUTIC AGENT GPR119, IAPP, FABP4 PTPN1 2182/4885PTPN2 1854/4885PNLIP 14/4885
US-20070060641-A1 Therapeutic agent GPR119, IAPP, FABP4 PTPN1 2182/4885PTPN2 1854/4885PNLIP 14/4885

“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.