SCHEMBL16710282

SCHEMBL16710282

C=COc1ccccc1C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.51
KDM4E B2RXH2 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.46
IRAK4 Q9NWZ3 1/20 0.44
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 1/20 0.43
ESR1 P03372 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HMGB1 P09429 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
GGT1 P19440 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
BLM P54132 1/20 0.43
NAPRT Q6XQN6 1/20 0.43

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
SCHEMBL3109985 0.84 ELANE (0.47) LMNAKDM4ESMN1; SMN2ALDH1A1IRAK4
SCHEMBL4209791 0.82 KDM4E (0.56) LMNAKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL11314323 0.82 LMNA (0.53) LMNAKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL32687438 0.82 KDM4E (0.56) LMNAKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL3961140 0.82 KDM4E (0.45) LMNAKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL8608640 0.81 CYP3A4 (0.43) LMNAKDM4ESMN1; SMN2ALDH1A1IRAK4
SCHEMBL9751711 0.81 ALDH1A1 (0.44) KDM4EALDH1A1IRAK4MAPTCYP3A4
SCHEMBL28191444 0.81 KDM4E (0.58) LMNAKDM4EALDH1A1KMT2AIRAK4
SCHEMBL2987534 0.79 CYP3A4 (0.42) LMNAKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL1244839 0.79 LMNA (0.46) LMNAKDM4ESMN1; SMN2ALDH1A1KMT2A

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-9339484-B2 Compositions and methods for the treatment of restless leg syndrome and fibromyalgia CELLIX BIO PRIVATE LIMITED (IN) 2016-05-17 US disclosed
US-20150133408-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF RESTLESS LEG SYNDROME AND FIBROMYALGIA CELLIX BIO PRIVATE LIMITED (IN) 2015-05-14 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-20150133408-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF RESTLESS LEG SYNDROME AND FIBROMYALGIA OPRK1, OPRM1, OPRD1 LMNA 937/4885KDM4E 3987/4885SMN1; SMN2 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.