SCHEMBL4955166

SCHEMBL4955166

COC(=O)C(C)CCC#N

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
SLC1A2 P43004 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP7 P55210 1/20 0.34
CA14 Q9ULX7 2/20 0.33
ZDHHC7 Q9NXF8 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CA12 O43570 1/20 0.31
MCL1 Q07820 1/20 0.31
MME P08473 1/20 0.31

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
SCHEMBL10011415 0.82 TSHR (0.40) TSHRSLC1A2MEN1KMT2ACHRNB2
SCHEMBL14353237 0.82 KMT2A (0.47) TSHRSLC1A2MEN1KMT2ASMN1; SMN2
SCHEMBL19105368 0.81 TSHR (0.38) TSHRSLC1A2MEN1KMT2ASMN1; SMN2
SCHEMBL10011145 0.81 ADRA2A (0.32) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL10012313 0.80 TSHR (0.39) TSHRSLC1A2MEN1KMT2ACHRNB2
SCHEMBL7105090 0.79 SMN1; SMN2 (0.46) TSHRKMT2ASMN1; SMN2CA1CA2
SCHEMBL25260976 0.79 KMT2A (0.36) MEN1KMT2ASMN1; SMN2CA1CA2
SCHEMBL12792630 0.79 KMT2A (0.36) MEN1KMT2ASMN1; SMN2CA1CA2
SCHEMBL10012604 0.79 TSHR (0.38) TSHRSLC1A2MEN1KMT2ACHRNB2
SCHEMBL6830271 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399883-B2 Process for making adipic acid INVISTA NORTH AMERICA S.A.R.L. (US) 2008-07-15 US disclosed
US-20060258876-A1 Process for making 5-cyanovaleric acid, adipic acid or dimethyl adipate INVISTA NORTH AMERICA S.AR.L. (US) 2006-11-16 US disclosed
US-7078555-B2 Process for making 5-cyanovaleric acid, adipic acid or dimethyl adipate INVISTA NORTH AMERICA S.A.R.L. (US) 2006-07-18 US disclosed
US-20040162440-A1 PROCESS FOR MAKING 5-CYANOVALERIC ACID, ADIPIC ACID OR DIMETHYL ADIPATE INVISTA NORTH AMERICA S.A.R.L. 2004-08-19 US disclosed
EP-1341751-A1 tROCESS FOR MAKING 5-CYANOVALERIC ACID, ADIPIC ACID OR DIMETHYL ADIDPATE INVISTA Technologies S.à.r.l. (US) 2003-09-10 EP disclosed
US-20030105348-A1 Process for making 5-cyanovaleric acid, adipic acid or dimethyl adipate E. I. DU PONT DE NEMOURS AND COMPANY 2003-06-05 US disclosed
WO-2002048094-A1 tROCESS FOR MAKING 5-CYANOVALERIC ACID, ADIPIC ACID OR DIMETHYL ADIDPATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-06-20 WO disclosed
US-4508660-A Carbonylation of olefinically unsaturated nitriles and acids using a sulfone solvent E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-02 US disclosed
US-4060543-A Manufacture of 5-cyanovaleric acid and its esters BASF AKTIENGESELLSCHAFT (DT) 1977-11-29 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-20030105348-A1 Process for making 5-cyanovaleric acid, adipic acid or dimethyl adipate ALKBH3, ALKBH1, ADIPOR1 TSHR 2877/4885SLC1A2 563/4885MEN1 971/4885
US-20040162440-A1 PROCESS FOR MAKING 5-CYANOVALERIC ACID, ADIPIC ACID OR DIMETHYL ADIPATE ALKBH3, ALKBH1, ADIPOR1 TSHR 2877/4885SLC1A2 563/4885MEN1 971/4885
US-20060258876-A1 Process for making 5-cyanovaleric acid, adipic acid or dimethyl adipate ADIPOR1, ALKBH3, ADIPOR2 TSHR 659/4885SLC1A2 1534/4885MEN1 958/4885

“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.