SCHEMBL10028052

SCHEMBL10028052

Cc1ccc(-c2ccccc2OC(F)(F)F)o1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
HSD11B1 P28845 1/20 0.44
SCN9A Q15858 3/20 0.43
ADORA2A P29274 3/20 0.42
KDM4E B2RXH2 4/20 0.42
EP300 Q09472 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
S1PR1 P21453 3/20 0.41
MAPT P10636 1/20 0.41
P2RX3 P56373 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL10028056 0.79 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD
SCHEMBL3634969 0.76 ALDH1A1 (0.68) ALDH1A1L3MBTL1SCN9AKDM4EEP300
SCHEMBL7701143 0.75 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSD11B1SCN9AKDM4E
SCHEMBL3875107 0.75 ALDH1A1 (0.77) ALDH1A1L3MBTL1KDM4EMAPTHPGD
SCHEMBL29941707 0.75 ALDH1A1 (0.77) ALDH1A1L3MBTL1KDM4EMAPTHPGD
SCHEMBL19626088 0.75 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSD11B1SCN9AKDM4E
SCHEMBL28223719 0.75 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD
SCHEMBL17810834 0.74 ALDH1A1 (0.46) ALDH1A1L3MBTL1HSD11B1SCN9AEP300
SCHEMBL22931244 0.74 ALDH1A1 (0.67) ALDH1A1L3MBTL1SCN9AKDM4ESMN1; SMN2
SCHEMBL10028048 0.74 SMN1; SMN2 (0.51) ALDH1A1HSD11B1KDM4ESMN1; SMN2MAPT

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-20120010259-A1 Methods of Treating an Overweight or Obese Subject ZAFGEN, INC. 2012-01-12 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 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-20120010259-A1 Methods of Treating an Overweight or Obese Subject METAP2, METAP1, ACER2 ALDH1A1 802/4885L3MBTL1 3133/4885HSD11B1 581/4885

“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.