SCHEMBL685012

SCHEMBL685012

COC(=O)C(C)CCC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA14 Q9ULX7 2/20 0.35
ESRRB O95718 1/20 0.35
TSHR P16473 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
SLC15A2 Q16348 1/20 0.33
CA12 O43570 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL18124773 1.00 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2CYP1A2MGAMGAA
SCHEMBL17305959 1.00 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2CYP1A2MGAMGAA
SCHEMBL2400835 0.87 CA1 (0.38) ALDH1A1SMN1; SMN2MGAMGAASI
SCHEMBL2400089 0.87 CA1 (0.38) ALDH1A1SMN1; SMN2MGAMGAASI
SCHEMBL7105090 0.83 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2CYP1A2CA1CA2
SCHEMBL18124771 0.83 TSHR (0.36) ALDH1A1SMN1; SMN2CYP1A2CA1CA2
SCHEMBL10254859 0.82 CYP1A2 (0.60) SMN1; SMN2CYP1A2TSHR
SCHEMBL265551 0.82 TSHR (0.52) ALDH1A1SMN1; SMN2CYP1A2MGAMGAA
SCHEMBL16300949 0.82 TSHR (0.52) ALDH1A1SMN1; SMN2CYP1A2MGAMGAA
SCHEMBL712283 0.82 CYP1A2 (0.60) SMN1; SMN2CYP1A2TSHR

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-20240140888-A1 COMPOSITION COMPRISING AN ALKANE AND AN OXOESTER BIOSYNTHIS (FR) 2024-05-02 US disclosed
US-9073868-B2 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-8785386-B2 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-07-22 US disclosed
US-8669229-B2 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-03-11 US disclosed
US-20140024619-A1 Benzazepine Derivatives Useful as Vasopressin Antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-23 US disclosed
US-20140024640-A1 Benzazepine Derivatives Useful as Vasopressin Antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-23 US disclosed
US-20110286969-A1 DEUTERATED COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SCHERING CORPORATION (US) 2011-11-24 US disclosed
US-20110071084-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-03-24 US disclosed
US-4995899-A Optically active diazabicycloalkane derivatives and their use for protecting crops from the phytotoxic effect of herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-02-26 US disclosed
EP-0229649-A2 Optically active diazabicycloalkane derivatives and their use in the protection of crop plants from the phytotoxic action of herbicides BASF Aktiengesellschaft (DE) 1987-07-22 EP disclosed
EP-0065724-B1 DIHALOGEN ACETAMIDES, PROCESS FOR THEIR PREPARATION AND HERBICIDES CONTAINING ACETANILIDES AS HERBICIDES AND DIHALOGEN ACETAMIDES AS ANTIDOTES BASF Aktiengesellschaft (DE) 1984-08-08 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 (5 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-20240140888-A1 COMPOSITION COMPRISING AN ALKANE AND AN OXOESTER ALKBH2, ABHD12, FAAH2 ALDH1A1 938/4885SMN1; SMN2 358/4885CYP1A2 163/4885
US-20110071084-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS AVPR2, AVPR1B, AVPR1A ALDH1A1 1456/4885SMN1; SMN2 4505/4885CYP1A2 266/4885
US-20110286969-A1 DEUTERATED COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS PEPD, PREP, ACE ALDH1A1 380/4885SMN1; SMN2 4593/4885CYP1A2 285/4885
US-20140024619-A1 Benzazepine Derivatives Useful as Vasopressin Antagonists AVPR2, AVPR1B, AVPR1A ALDH1A1 1410/4885SMN1; SMN2 4492/4885CYP1A2 241/4885
US-20140024640-A1 Benzazepine Derivatives Useful as Vasopressin Antagonists AVPR2, AVPR1B, AVPR1A ALDH1A1 1410/4885SMN1; SMN2 4492/4885CYP1A2 241/4885

“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.