SCHEMBL10247874

SCHEMBL10247874

CC(=O)C1(Cl)CCOc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 3/20 0.41
NOTUM Q6P988 1/20 0.40
KIF11 P52732 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LDHA P00338 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
MAP3K14 Q99558 1/20 0.35

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
SCHEMBL10284783 0.80 ALDH1A1 (0.40) SMN1; SMN2GAAKMT2AKDM4EALDH1A1
SCHEMBL18159806 0.72 RARA (0.40) SMN1; SMN2GAAKMT2ANOTUMKDM4E
SCHEMBL19852199 0.72 ITGB2 (0.50) SMN1; SMN2GAAKMT2ANOTUMKIF11
SCHEMBL30403463 0.70 ITGB2 (0.43) SMN1; SMN2GAAKMT2ALDHAITGB2
SCHEMBL27999909 0.70 AKR1B1 (0.41) SMN1; SMN2GAAKMT2AKDM4ELDHA
SCHEMBL26150559 0.70 SMN1; SMN2 (0.39) SMN1; SMN2GAAKMT2ANOTUMKIF11
SCHEMBL2632863 0.70 ITGB2 (0.46) SMN1; SMN2GAAKMT2AITGB2ICAM1
SCHEMBL263371 0.70 ALDH1A1 (0.35) ALDH1A1
SCHEMBL10754920 0.69 ITGB2 (0.38) SMN1; SMN2GAAKMT2ANOTUMKIF11
SCHEMBL10759714 0.69 KMT2A (0.39) SMN1; SMN2GAAKMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010256-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB 2012-01-12 US disclosed
US-20110082107-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC. 2011-04-07 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 (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-20110082107-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD3B1, HSD17B1 SMN1; SMN2 2510/4885GAA 393/4885KMT2A 3049/4885
US-20120010256-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD3B1, HSD17B1 SMN1; SMN2 2510/4885GAA 393/4885KMT2A 3049/4885

“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.