SCHEMBL4153130

SCHEMBL4153130

COc1ccc2ccc(C(=O)C(C)(C)C)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
CYP1A2 P05177 4/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GABBR2 O75899 1/20 0.50
GABBR1 Q9UBS5 1/20 0.50
PLAU P00749 1/20 0.49
CYP2A6 P11509 1/20 0.48
HPGDS O60760 2/20 0.48
NPC1 O15118 2/20 0.47
CASP3 P42574 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
PTGS1 P23219 3/20 0.45

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
SCHEMBL4137247 0.97 KDM4E (0.66) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL16722810 0.84 CES2 (0.46) KDM4EALDH1A1HPGDHSD17B10GABBR2
SCHEMBL10899760 0.82 KDM4E (0.60) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL12471815 0.81 KDM4E (0.64) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL12940516 0.81 KDM4E (0.46) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL1145072 0.81 KDM4E (0.93) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL27595732 0.81 KDM4E (0.58) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL855617 0.80 CES2 (0.61) KDM4EALDH1A1HPGDHSD17B10GABBR2
SCHEMBL12646337 0.80 KMT2A (0.51) KDM4EALDH1A1HPGDHSD17B10GABBR2
SCHEMBL757101 0.80 CES2 (0.61) ALDH1A1HSD17B10RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181252-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-11-10 US disclosed
US-9181252-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-11-10 US disclosed
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-06-04 US disclosed
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-06-04 US disclosed
US-8993586-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-03-31 US disclosed
US-8993586-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-03-31 US disclosed
US-20150025098-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-01-22 US disclosed
US-20150025098-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-01-22 US disclosed
US-8859773-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-10-14 US disclosed
US-8859773-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-10-14 US disclosed
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC 2012-05-03 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 (3 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-20150025098-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY KDM4E 2570/4885CYP1A2 797/4885ALDH1A1 158/4885
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY KDM4E 2570/4885CYP1A2 797/4885ALDH1A1 158/4885
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY KDM4E 2570/4885CYP1A2 797/4885ALDH1A1 158/4885

“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.