SCHEMBL6971257

SCHEMBL6971257

COC(=O)CC1CC=CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
TSHR P16473 4/20 0.40
GAA P10253 3/20 0.37
HSD17B10 Q99714 3/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
NR1H2 P55055 1/20 0.35
MIF P14174 5/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
EGFR P00533 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
LTA4H P09960 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL2769747 0.86 BRD4 (0.40) BRD4TSHRGAAKMT2AALDH1A1
SCHEMBL16512555 0.82 TSHR (0.40) BRD4TSHRGAAHSD17B10MGAM
SCHEMBL16512742 0.82 TSHR (0.40) BRD4TSHRGAAHSD17B10MGAM
SCHEMBL14363249 0.78 MGAM (0.44) TSHRGAAHSD17B10MGAMSI
SCHEMBL24197361 0.78 BRD4 (0.50) BRD4TSHRGAAHSD17B10MGAM
SCHEMBL2036054 0.78
SCHEMBL24289838 0.78 BRD4 (0.37) BRD4TSHRNR1H2
SCHEMBL6971253 0.77
SCHEMBL868953 0.74 BRD4 (0.47) BRD4TSHRKMT2AALDH1A1L3MBTL1
SCHEMBL3631878 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275241-A1 Polymorphic Forms of Dolasetron Base and Processes of Preparing Dolasetron Base, Its Polymorphic Forms and Salt Thereof USV LIMITED (IN) 2008-11-06 US disclosed
US-20070112030-A1 Processes for preparing bicyclo [3.1.0] hexane derivatives, and intermediates thereto MERCK & CO., INC. 2007-05-17 US disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 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 (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-20070112030-A1 Processes for preparing bicyclo [3.1.0] hexane derivatives, and intermediates thereto GRM1, GRM3, GRM2 BRD4 411/4885TSHR 2978/4885GAA 4233/4885
US-20080275241-A1 Polymorphic Forms of Dolasetron Base and Processes of Preparing Dolasetron Base, Its Polymorphic Forms and Salt Thereof CYP4A11, CYP3A43, VKORC1 BRD4 3815/4885TSHR 4462/4885GAA 501/4885

“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.