SCHEMBL7052656

SCHEMBL7052656

CCCCCCCCCCC[C@@H](C#N)N(CC#N)CC#N

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ZDHHC20 Q5W0Z9 3/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
PLA2G1B P04054 1/20 0.32
PLA2G2A P14555 1/20 0.32
DNM1 Q05193 2/20 0.32
OPRM1 P35372 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
SCHEMBL8773721 1.00 TSHR (0.38) TSHRZDHHC20ZDHHC2MAPTLMNA
SCHEMBL6914555 0.84 PLA2G1B (0.38) TSHRLMNAPLA2G1BPLA2G2ADNM1
SCHEMBL5702641 0.78 TSHR (0.37) TSHRLMNAPLA2G1BPLA2G2ADNM1
SCHEMBL9333397 0.78 TSHR (0.37) TSHRLMNAPLA2G1BPLA2G2ADNM1
SCHEMBL6544383 0.74 CYP1A2 (0.36) TSHR
SCHEMBL5481491 0.71 TSHR (0.39) TSHRZDHHC20ZDHHC2MAPTLMNA
SCHEMBL23388971 0.70 TSHR (0.42) TSHRDNM1
SCHEMBL12844942 0.69 TSHR (0.46) TSHRZDHHC20ZDHHC2MAPTLMNA
SCHEMBL4745188 0.69 TSHR (0.46) TSHRZDHHC20ZDHHC2MAPTLMNA
SCHEMBL15211724 0.69 TSHR (0.46) TSHRZDHHC20ZDHHC2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005447-B1 METHOD FOR PRODUCING LONG-CHAIN GLYCINE-N,N-DIACETIC ACID DERIVATIVES BASF AG (DE) 2003-04-23 EP disclosed
US-6420593-B2 COMPRISES REACTING IMINODIACETONITRILE WITH ALDEHYDES AND HYDROGEN CYANIDE OR ALKALI METAL CYANIDES; USEFUL AS BIODEGRADABLE COMPLEXING AGENTS FOR ALKALI METAL AND HEAVY METAL IONS BASF AKTIENGESELLSCHAFT (DE) 2002-07-16 US disclosed
US-20010034457-A1 Method for producing long-chain glycine-N,N-diacetic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 US disclosed
US-6307086-B1 PREPARATION OF LONG-CHAIN SUBSTITUTED NITRILOTRIACETONITRILES FROM IMINODIACETONITRILE, LONG-CHAIN ALDEHYDE AND HCN OR ALKALI METAL CYANIDE OR FROM AN ALPHA-AMINO LONG-CHAIN NITRILE, FORMALDEHYDE AND HCN OR ALKALI METAL CYANIDE BASF AKTIENGESELLSCHAFT (DE) 2001-10-23 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-20010034457-A1 Method for producing long-chain glycine-N,N-diacetic acid derivatives SCO2, HAO2, CLIC1 TSHR 4699/4885ZDHHC20 1981/4885ZDHHC2 755/4885

“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.