SCHEMBL3687012

SCHEMBL3687012

CCOC(CC(C(=O)OC)C(=O)OC)OCC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MME P08473 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 3/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EPHX1 P07099 1/20 0.32
ALOX15 P16050 1/20 0.31
SOAT1 P35610 1/20 0.31
TSHR P16473 1/20 0.31
THRB P10828 1/20 0.31
CA14 Q9ULX7 1/20 0.30
PTPRB P23467 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
SCHEMBL131332 0.84 ALDH1A1 (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3684680 0.83 CA1 (0.44) MGAMGAASIMGAM2CA1
SCHEMBL8357552 0.81 SMN1; SMN2 (0.35) MGAMGAASIMGAM2CA1
SCHEMBL3687345 0.79 SMN1; SMN2 (0.39) CA1CA2MMESMN1; SMN2ALDH1A1
SCHEMBL9472675 0.79 THRB (0.35) ALDH1A1LMNAHSD17B10EPHX1THRB
SCHEMBL11652425 0.78 SMN1; SMN2 (0.46) MGAMGAASIMGAM2CA1
SCHEMBL188112 0.78 SMN1; SMN2 (0.38) MGAMGAASIMGAM2CA1
SCHEMBL7977852 0.78 SMN1; SMN2 (0.38) MGAMGAASIMGAM2CA1
SCHEMBL3687016 0.77 TDP1 (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7745289 0.76 EPHX1 (0.32) MGAMGAASIMGAM2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025122956-A1 COMBINATION THERAPY VIVACE THERAPEUTICS, INC. (US) 2025-06-12 WO disclosed
US-11866431-B2 Bicyclic compounds VIVACE THERAPEUTICS, INC. (US) 2024-01-09 US disclosed
US-20230061429-A1 BICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2023-03-02 US disclosed
US-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 US disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 US disclosed
EP-2060557-B1 Intermediate compounds useful to prepare dolasetron INKE SA (ES) 2012-06-06 EP disclosed
EP-2060557-B1 Intermediate compounds useful to prepare dolasetron INKE SA (ES) 2012-06-06 EP disclosed
US-7858821-B2 Intermediate compounds useful to prepare dolasetron INKE, S.A. (ES) 2010-12-28 US disclosed
US-7858821-B2 Intermediate compounds useful to prepare dolasetron INKE, S.A. (ES) 2010-12-28 US disclosed
US-7858821-B2 Intermediate compounds useful to prepare dolasetron INKE, S.A. (ES) 2010-12-28 US disclosed
EP-2060557-A1 Intermediate compounds useful to prepare dolasetron INKE, S.A. (ES) 2009-05-20 EP disclosed
EP-2060557-A1 Intermediate compounds useful to prepare dolasetron INKE, S.A. (ES) 2009-05-20 EP disclosed
US-20090124807-A1 INTERMEDIATE COMPOUNDS USEFUL TO PREPARE DOLASETRON INKE, S.A. 2009-05-14 US disclosed
US-20090124807-A1 INTERMEDIATE COMPOUNDS USEFUL TO PREPARE DOLASETRON INKE, S.A. 2009-05-14 US disclosed
US-20090124807-A1 INTERMEDIATE COMPOUNDS USEFUL TO PREPARE DOLASETRON INKE, S.A. 2009-05-14 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 (4 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-11866431-B2 Bicyclic compounds YAP1, MYC, TEAD2 MGAM 4839/4885GAA 3868/4885SI 4292/4885
US-20090124807-A1 INTERMEDIATE COMPOUNDS USEFUL TO PREPARE DOLASETRON DHPS, ALG8, DDOST MGAM 1118/4885GAA 280/4885SI 12/4885
US-20230061429-A1 BICYCLIC COMPOUNDS YAP1, MYC, TEAD2 MGAM 4839/4885GAA 3868/4885SI 4292/4885
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR MGAM 79/4885GAA 178/4885SI 613/4885

“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.