SCHEMBL4569271

SCHEMBL4569271

CC(C)(C)OCC1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
ACACB O00763 1/20 0.30

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
SCHEMBL7802845 0.87 ALDH1A1 (0.48) ALDH1A1
SCHEMBL685573 0.83
SCHEMBL16109561 0.83 ALDH1A1 (0.50) ALDH1A1
SCHEMBL12360415 0.83 ALDH1A1 (0.30) ALDH1A1
SCHEMBL15431857 0.80 ALDH1A1 (0.35) ALDH1A1
SCHEMBL24434517 0.79 PIK3CD (0.32) ACACB
SCHEMBL20002224 0.79 RORC (0.34)
SCHEMBL11930045 0.78 ALDH1A1 (0.46) ALDH1A1
SCHEMBL7741403 0.78 ALDH1A1 (0.46) ALDH1A1
SCHEMBL18995660 0.78

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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024528-B2 Bridged tricyclic carbamoylpyridone compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-02 US disclosed
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
US-20230339972-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-10-26 US disclosed
US-20230339971-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-10-26 US disclosed
US-20230339971-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-10-26 US disclosed
US-20230339972-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-10-26 US disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230226186-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-20 US disclosed
US-20230226186-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-20 US disclosed
US-20140024646-A1 OCTAHYDRO-CYCLOPENTAPYRROLYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (US) 2014-01-23 US disclosed
US-20130261102-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-10-03 US disclosed
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-02-07 US disclosed
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 US disclosed
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 US disclosed
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 US disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 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 (14 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-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB ALDH1A1 2379/4885ACACB 950/4885
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 ALDH1A1 430/4885ACACB 377/4885
US-20230339971-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF SDHA, SDHB, DHFR ALDH1A1 840/4885ACACB 135/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ALDH1A1 3154/4885ACACB 716/4885
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ALDH1A1 2379/4885ACACB 950/4885
US-20230226186-A1 RAS INHIBITORS KRAS, NRAS, HRAS ALDH1A1 4437/4885ACACB 3273/4885
US-12024528-B2 Bridged tricyclic carbamoylpyridone compounds and uses thereof SDHA, SDHB, DPYD ALDH1A1 684/4885ACACB 130/4885
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 ALDH1A1 209/4885ACACB 996/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 ALDH1A1 209/4885ACACB 996/4885
US-20230339972-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF SDHA, SDHB, DPYD ALDH1A1 684/4885ACACB 130/4885
US-20140024646-A1 OCTAHYDRO-CYCLOPENTAPYRROLYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 ALDH1A1 564/4885ACACB 1095/4885
US-20130261102-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ALDH1A1 2379/4885ACACB 950/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ALDH1A1 3050/4885ACACB 1026/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 ALDH1A1 4563/4885ACACB 747/4885

“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.