SCHEMBL21074362

SCHEMBL21074362

CCCCCC(C)(C)C(C)(C)N

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.43
SMPD1 P17405 4/20 0.42
TSHR P16473 2/20 0.37
THRB P10828 1/20 0.37
DNM1 Q05193 5/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EPHX1 P07099 1/20 0.35
GGPS1 O95749 2/20 0.34

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 SCHEMBL2187012 0.97 FDPS (0.41) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL31244389 0.97 SMPD1 (0.45) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL679279 0.97 SMPD1 (0.45) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL28466918 0.97 SMPD1 (0.45) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL9175206 0.97 SMPD1 (0.45) FDPSSMPD1TSHRTHRBDNM1
Water SCHEMBL10400449 0.95 SMPD1 (0.44) FDPSSMPD1TSHRTHRBDNM1
Bromide SCHEMBL11248184 0.95 SMPD1 (0.44) FDPSSMPD1TSHRTHRBDNM1
Bromide SCHEMBL28466971 0.95 SMPD1 (0.44) FDPSSMPD1TSHRTHRBDNM1
Ammonia Solution, Strong SCHEMBL28535259 0.95 SMPD1 (0.44) FDPSSMPD1TSHRTHRBDNM1
Ammonia Solution, Strong SCHEMBL28528104 0.95 SMPD1 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190169218-A1 AMPHIPATHIC COMPOUND HAVING NOVEL PENTA-SACCHARIDE HYDROPHILIC GROUP AND USE THEREOF INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2019-06-06 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-20190169218-A1 AMPHIPATHIC COMPOUND HAVING NOVEL PENTA-SACCHARIDE HYDROPHILIC GROUP AND USE THEREOF UGCG, APMAP, GID4 FDPS 1595/4885SMPD1 1273/4885TSHR 2916/4885

“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.