SCHEMBL6002178

SCHEMBL6002178

CCCCCCCCCCCCCCCCCC(C)(C)OC(N)CC

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.34
FDPS P14324 1/20 0.33
OPRM1 P35372 1/20 0.32
TSHR P16473 2/20 0.32
THRB P10828 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
GGPS1 O95749 1/20 0.31
DNM1 Q05193 4/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EPHX1 P07099 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
Hydrochloric Acid SCHEMBL28437105 0.98 DNM1 (0.33) SMPD1FDPSOPRM1TSHRTHRB
SCHEMBL15328861 0.82 LMNA (0.37) SMPD1FDPSOPRM1TSHRSPHK1
SCHEMBL4655855 0.82 OPRM1 (0.38) SMPD1FDPSOPRM1TSHRTHRB
SCHEMBL15578250 0.77 LMNA (0.36) SMPD1FDPSTSHRTHRBGGPS1
SCHEMBL554730 0.77 LMNA (0.36) SMPD1FDPSTSHRTHRBGGPS1
SCHEMBL28138940 0.76 OPRM1 (0.32) SMPD1FDPSOPRM1
SCHEMBL4940464 0.75 FDPS (0.33) SMPD1FDPSSPHK1GGPS1
SCHEMBL3675676 0.74 LMNA (0.35) SMPD1FDPSTSHRTHRBSPHK1
SCHEMBL24008653 0.73 TSHR (0.33) SMPD1FDPSTSHRTHRBGGPS1
SCHEMBL6008491 0.72 TSHR (0.40) SMPD1FDPSTSHRTHRBGGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1649847-B1 METHOD FOR GROOMING HAIR KAO CORP (JP) 2013-09-18 EP disclosed
US-8512686-B2 Hair grooming preparation KAO CORPORATION (JP) 2013-08-20 US disclosed
US-20060198807-A1 Hair grooming preparation KAO CORPORATION (JP) 2006-09-07 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-20060198807-A1 Hair grooming preparation H1-0, EBP, POLR1C SMPD1 3411/4885FDPS 4881/4885OPRM1 1964/4885

“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.