SCHEMBL15912440

SCHEMBL15912440

COC(=O)C1(c2ccc3cc(I)ccc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.42
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC1 Q13547 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL7744850 0.84 OPRM1 (0.56) OPRM1HDAC1
SCHEMBL5641709 0.84 OPRM1 (0.52) OPRM1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11467518 0.83 OPRM1 (0.46) OPRM1ALDH1A1SMN1; SMN2
SCHEMBL15548256 0.83 KDM4E (0.46) OPRM1LMNAALDH1A1SMN1; SMN2
SCHEMBL11462401 0.82 LMNA (0.48) OPRM1LMNAMEN1KMT2AL3MBTL1
SCHEMBL14790321 0.82 OPRM1 (0.42) OPRM1LMNAMEN1KMT2AL3MBTL1
SCHEMBL14710596 0.82 OPRM1 (0.42) OPRM1LMNAMEN1KMT2AL3MBTL1
SCHEMBL1163278 0.80 OPRM1 (0.37) OPRM1LMNAMEN1KMT2AL3MBTL1
SCHEMBL14710667 0.78 OPRM1 (0.40) OPRM1LMNAMEN1KMT2AL3MBTL1
SCHEMBL8584110 0.77 ALDH1A1 (0.51) LMNAMEN1KMT2AL3MBTL1ALDH1A1

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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 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 (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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 OPRM1 1387/4885LMNA 701/4885MEN1 1384/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 OPRM1 1387/4885LMNA 701/4885MEN1 1384/4885

“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.