SCHEMBL16688554

SCHEMBL16688554

CC(C)(C)C(=O)c1cc(=O)c2c(O)cccc2o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLH Q9Y253 2/20 0.60
AR P10275 6/20 0.53
CYP3A4 P08684 4/20 0.53
MAPT P10636 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALOX15 P16050 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A1 P04798 1/20 0.53
CYP1A2 P05177 1/20 0.53
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1B1 Q16678 1/20 0.53
FTO Q9C0B1 1/20 0.53
HTR2B P41595 4/20 0.51
MAPK1 P28482 2/20 0.51
RAF1 P04049 1/20 0.51
HPGD P15428 1/20 0.51
ATM Q13315 1/20 0.51
HTR3A P46098 1/20 0.51

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
SCHEMBL15920417 0.85 POLH (0.58) POLHARCYP3A4MAPTMEN1
SCHEMBL8121953 0.83 AR (0.62) POLHARCYP3A4MAPTMEN1
SCHEMBL2773475 0.83 KDM4E (0.60) POLHARCYP3A4MAPTMEN1
SCHEMBL24248100 0.83 POLH (0.56) POLHARCYP3A4MAPTMEN1
SCHEMBL17716251 0.83 POLH (0.56) POLHARCYP3A4MAPTMEN1
SCHEMBL16688558 0.82 POLH (0.58) POLHARCYP3A4MAPTMEN1
SCHEMBL15821014 0.81 POLH (0.58) POLHARCYP3A4MAPTMEN1
SCHEMBL21089969 0.81 POLH (0.54) POLHARCYP3A4MAPTMEN1
SCHEMBL13543171 0.81 KDM4E (0.66) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL14752570 0.79 ALOX15 (0.57) POLHARCYP3A4MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988340-B2 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2018-06-05 US disclosed
US-9988340-B2 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2018-06-05 US disclosed
US-9580383-B2 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2017-02-28 US disclosed
US-9580383-B2 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2017-02-28 US disclosed
US-9498461-B2 Compositions and methods for the treatment of inflammatory bowel disease CELLIX BIO PRIVATE LIMITED (IN) 2016-11-22 US disclosed
US-9394288-B2 Compositions and methods for the treatment of asthma and allergy CELLIX BIO PRIVATE LIMITED (IN) 2016-07-19 US disclosed
US-9333187-B1 Compositions and methods for the treatment of inflammatory bowel disease CELLIX BIO PRIVATE LIMITED (IN) 2016-05-10 US disclosed
US-20160122291-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE SCLEROSIS CELLIX BIO PRIVATE LIMITED (IN) 2016-05-05 US disclosed
US-20160120839-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CELLIX BIO PRIVATE LIMITED (IN) 2016-05-05 US disclosed
US-20160120838-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CELLIX BIO PRIVATE LIMITED (IN) 2016-05-05 US disclosed
US-20160090350-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE SCLEROSIS CELLIX BIO PRIVATE LIMITED (IN) 2016-03-31 US disclosed
US-9227974-B2 Compositions and methods for the treatment of respiratory disorders CELLEX BIO PRIVATE LIMITED (IN) 2016-01-05 US disclosed
US-9102649-B1 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2015-08-11 US disclosed
US-20150133407-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF RESPIRATORY DISORDERS CELLIX BIO PRIVATE LIMITED (IN) 2015-05-14 US disclosed
US-20150126593-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ASTHMA AND ALLERGY CELLIX BIO PRIVATE LIMITED (IN) 2015-05-07 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 (6 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-20160120838-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALPI, SLC10A2, SI POLH 2936/4885AR 4084/4885CYP3A4 84/4885
US-20150126593-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ASTHMA AND ALLERGY LTA4H, LTC4S, ALOX5 POLH 2717/4885AR 670/4885CYP3A4 35/4885
US-20160122291-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE SCLEROSIS PMP22, SI, AQP4 POLH 2421/4885AR 1962/4885CYP3A4 302/4885
US-20160090350-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE SCLEROSIS PMP22, SI, AQP4 POLH 2243/4885AR 2289/4885CYP3A4 356/4885
US-20160120839-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALPI, SLC10A2, SI POLH 2936/4885AR 4084/4885CYP3A4 84/4885
US-20150133407-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF RESPIRATORY DISORDERS SORD, MUC1, CFTR POLH 3809/4885AR 849/4885CYP3A4 22/4885

“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.