SCHEMBL2137700

SCHEMBL2137700

CCC(C=O)CC(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MGAM O43451 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.32
CTSK P43235 1/20 0.32
POLB P06746 1/20 0.32
POLA1 P09884 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
KCNA5 P22460 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TET2 Q6N021 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 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
SCHEMBL18271802 0.83 TSHR (0.38) TSHRSMN1; SMN2MGAMGAASI
SCHEMBL27903539 0.81 TSHR (0.39) TSHRSMN1; SMN2
SCHEMBL27668406 0.81 TSHR (0.37) TSHRMGAMGAASIMGAM2
SCHEMBL27935662 0.81 TSHR (0.39) TSHRSMN1; SMN2
SCHEMBL12785257 0.81 ALDH1A1 (0.37) TSHRMGAMGAASIMGAM2
SCHEMBL19439578 0.80 TSHR (0.53) TSHRSMN1; SMN2HSD17B10CTSKPOLB
SCHEMBL4748897 0.79 TSHR (0.36) TSHRMGAMGAASIMGAM2
SCHEMBL11352922 0.79 TSHR (0.47) TSHRSMN1; SMN2HSD17B10KDM4ECTSK
SCHEMBL563304 0.78 TSHR (0.34) TSHRMGAMGAASIMGAM2
SCHEMBL17755804 0.78 TSHR (0.34) TSHRMGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383718-B1 CONTINUOUS HYDROFORMYLATION PROCESS DSM IP ASSETS BV (NL) 2006-06-28 EP claimed
US-20040138508-A1 Rapid, low temperature vacuum evaporator recovery of rhodium bisphosphite catalyst from high boiling point aldehydes without degradation DSM I.P. ASSETS B.V. (NL) 2004-07-15 US claimed
EP-1383718-A1 CONTINUOUS HYDROFORMYLATION PROCESS DSM IP Assets B.V. (NL) 2004-01-28 EP claimed
WO-2002083605-A1 CONTINUOUS HYDROFORMYLATION PROCESS DSM IP ASSETS B.V. (NL) 2002-10-24 WO claimed
US-6355831-B1 CATALYTIC REACTION OF FORMYLVALERIC ESTER USING NOBLE METAL AS CATALYST INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2002-03-12 US claimed
EP-0295548-B1 METHOD FOR THE PRODUCTION OF PENTENOIC ACID ESTERS FROM ESTERS OF FORMYL-VALERIC ACID BASF Aktiengesellschaft (DE) 1992-03-18 EP claimed
US-4879406-A DEHYDROFORMYLATION BASF AKTIENGESELLSCHAFT (DE) 1989-11-07 US claimed
US-8912329-B2 Composition for treatment of tuberculosis BioVersys AG (CH) 2014-12-16 US disclosed
EP-2445495-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS Bioversys AG (CH) 2012-05-02 EP disclosed
US-20120101080-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BioVersys AG (CH) 2012-04-26 US disclosed
WO-2010149761-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BIOVERSYS GMBH (CH) 2010-12-29 WO disclosed
CN-1328235-C Improed process of prepn. of linear aldehydes DU PONT (US) 2007-07-25 CN disclosed
US-7202193-B2 Process for the carbonylation of an ethylenically unsaturated compound and catalyst therefore SHELL OIL COMPANY (US) 2007-04-10 US disclosed
EP-0295551-B1 METHOD FOR THE PRODUCTION OF ADIPIC ACID BASF Aktiengesellschaft (DE) 1993-04-14 EP disclosed
EP-0293748-B1 PROCESS FOR THE PREPARATION OF 2(5H)-FURANONES BASF Aktiengesellschaft (DE) 1992-01-29 EP disclosed
US-4931590-A Preparation of adipic acid BASF AKTIENGESELLSCHAFT (DE) 1990-06-05 US disclosed
US-4853473-A Preparation of 2(5H)-furanones BASF AKTIENGESELLSCHAFT (DE) 1989-08-01 US disclosed
EP-0295549-A2 Method for the production of 5-formyl valeric acid esters BASF Aktiengesellschaft (DE) 1988-12-21 EP disclosed
EP-0295551-A2 Method for the production of adipic acid BASF Aktiengesellschaft (DE) 1988-12-21 EP disclosed
EP-0293748-A2 Process for the preparation of 2(5H)-furanones BASF Aktiengesellschaft (DE) 1988-12-07 EP 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-20120101080-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS PRMT7, NCOA3, PRMT3 TSHR 38/4885SMN1; SMN2 4154/4885MGAM 4275/4885
US-20040138508-A1 Rapid, low temperature vacuum evaporator recovery of rhodium bisphosphite catalyst from high boiling point aldehydes without degradation VAPB, VAPA, MVD TSHR 3352/4885SMN1; SMN2 2453/4885MGAM 3216/4885

“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.