SCHEMBL7705993

SCHEMBL7705993

CC(C)NC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
CYP17A1 P05093 2/20 0.55
ITGB1 P05556 2/20 0.53
ITGA4 P13612 2/20 0.53
GLA P06280 1/20 0.52
CA2 P00918 1/20 0.51
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
NPC1 O15118 1/20 0.47
CRHBP P24387 1/20 0.47
HTT P42858 1/20 0.47
CRHR2 Q13324 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
LMNA P02545 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
SCHEMBL21779946 0.91 ALDH1A1 (0.56) ALDH1A1CYP17A1ITGB1ITGA4GLA
SCHEMBL1758676 0.82 SMN1; SMN2 (0.58) ALDH1A1CYP17A1ITGB1ITGA4GLA
SCHEMBL7705184 0.81 ALDH1A1 (0.51) ALDH1A1CYP17A1ITGB1ITGA4CA2
SCHEMBL27405417 0.80 ALDH1A1 (0.46) ALDH1A1CYP17A1ITGB1ITGA4KDM4E
SCHEMBL16064879 0.80 ALDH1A1 (0.50) ALDH1A1CYP17A1ITGB1ITGA4GLA
SCHEMBL8865206 0.77 ITGB1 (0.51) ALDH1A1CYP17A1ITGB1ITGA4GLA
SCHEMBL8333419 0.77 ALDH1A1 (0.48) ALDH1A1CYP17A1ITGB1ITGA4CA2
SCHEMBL25972729 0.76 ALDH1A1 (0.51) ALDH1A1CYP17A1GLACA2KDM4E
SCHEMBL24897709 0.76 ALDH1A1 (0.46) ALDH1A1CYP17A1CA2NPC1
SCHEMBL2841738 0.76 THRB (0.63) ALDH1A1GLAKDM4ECRHBPHTT

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-6348625-B1 TREATING CORRESPONDING CARBOXYLIC ACID FUNCTIONAL GROUP WITH N,N-DIETHYL-1,1,2,3,3,3-HEXAFLUOROPROPYLAMINE FOLLOWED BY AMMONIA ANDERSON GLORIA LONG (US) 2002-02-19 US claimed
US-20230353959-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2023-11-02 US disclosed
US-20230149549-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-18 US disclosed
WO-2023081759-A1 BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF RELAY THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed
WO-2022266491-A1 PROTEOLYSIS TARGETING CHIMERAS AND POLYPHARMACOLOGICAL AGENTS TARGETING BCL-2, AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2022-12-22 WO disclosed
EP-3616753-A1 COMPOUNDS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR Corvus Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed
US-9618842-B2 Resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2017-04-11 US disclosed
US-9618842-B2 Resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2017-04-11 US disclosed
US-20110165512-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2011-07-07 US disclosed
US-20110165512-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2011-07-07 US disclosed
US-6348625-B1 TREATING CORRESPONDING CARBOXYLIC ACID FUNCTIONAL GROUP WITH N,N-DIETHYL-1,1,2,3,3,3-HEXAFLUOROPROPYLAMINE FOLLOWED BY AMMONIA ANDERSON GLORIA LONG (US) 2002-02-19 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-20230149549-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCB1, SMARCE1 ALDH1A1 3473/4885CYP17A1 4076/4885ITGB1 2369/4885

“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.