SCHEMBL20178041

SCHEMBL20178041

CC(C)(C)c1ccc(N2CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.57
MAPK1 P28482 2/20 0.56
NPC1 O15118 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HTT P42858 1/20 0.53
MAPT P10636 4/20 0.51
USP2 O75604 1/20 0.51
TP53 P04637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
HRH3 Q9Y5N1 3/20 0.46
TSHR P16473 2/20 0.46
SMO Q99835 1/20 0.46
DRD4 P21917 1/20 0.46

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
SCHEMBL270284 0.91 ALDH1A1 (0.59) HSD11B1MAPK1NPC1L3MBTL1KDM4E
SCHEMBL12240579 0.91 HSD11B1 (0.69) HSD11B1MAPK1NPC1L3MBTL1KDM4E
SCHEMBL15163882 0.91 HSD11B1 (0.54) HSD11B1MAPK1NPC1L3MBTL1KDM4E
SCHEMBL12125852 0.91 MAPK1 (0.68) HSD11B1MAPK1NPC1L3MBTL1KDM4E
SCHEMBL23172976 0.91 HSD11B1 (0.50) HSD11B1MAPK1NPC1L3MBTL1KDM4E
SCHEMBL8352399 0.91 HSD11B1 (0.50) HSD11B1MAPK1NPC1L3MBTL1KDM4E
SCHEMBL22875958 0.89 CA12 (0.56) HSD11B1MAPK1NPC1L3MBTL1KDM4E
SCHEMBL12744594 0.89 HSD11B1 (0.69) HSD11B1MAPK1NPC1L3MBTL1KDM4E
SCHEMBL13141223 0.89 HSD11B1 (0.50) HSD11B1MAPK1NPC1L3MBTL1KDM4E
SCHEMBL18210662 0.89 ALDH1A1 (0.52) HSD11B1MAPK1NPC1L3MBTL1KDM4E

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-20230065217-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. 2023-03-02 US disclosed
US-10398676-B2 Use of alpha-hydroxy carbonyl compounds as reducing agents MORVUS TECHNOLOGY LIMITED (GB) 2019-09-03 US disclosed
US-20180140575-A1 USE OF ALPHA-HYDROXY CARBONYL COMPOUNDS AS REDUCING AGENTS GORDIAN PHARMA LIMITED (GB) 2018-05-24 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-10398676-B2 Use of alpha-hydroxy carbonyl compounds as reducing agents DERA, HOGA1, ALDOA HSD11B1 295/4885MAPK1 2932/4885NPC1 4198/4885
US-20230065217-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 HSD11B1 1715/4885MAPK1 1450/4885NPC1 2030/4885
US-20180140575-A1 USE OF ALPHA-HYDROXY CARBONYL COMPOUNDS AS REDUCING AGENTS DERA, HOGA1, ALDOA HSD11B1 295/4885MAPK1 2932/4885NPC1 4198/4885

“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.