SCHEMBL7523940

SCHEMBL7523940

CCCCCC(N)(N)CCCC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.46
SMPD1 P17405 4/20 0.44
TSHR P16473 3/20 0.41
THRB P10828 1/20 0.41
DNM1 Q05193 5/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX1 P07099 1/20 0.38
GGPS1 O95749 2/20 0.37

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
SCHEMBL30081369 0.97 SMPD1 (0.48) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL30081401 0.97 SMPD1 (0.48) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL30081417 0.97 SMPD1 (0.48) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL30081365 0.97 SMPD1 (0.48) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL7623988 0.97 FDPS (0.48) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL49451 0.94 SMPD1 (0.50) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL3889751 0.94 SMPD1 (0.50) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL11405905 0.94 SMPD1 (0.50) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL31484333 0.94 SMPD1 (0.50) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL7708250 0.94 SMPD1 (0.50) FDPSSMPD1TSHRTHRBDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PFIZER INC. 2002-05-16 US disclosed
EP-0204587-A2 Lubricating oil composition EXXON CHEMICAL PATENTS INC. (US) 1986-12-10 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 (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-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A1 FDPS 337/4885SMPD1 1321/4885TSHR 4656/4885

“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.