SCHEMBL16015398

SCHEMBL16015398

CCCCOc1cc(COc2cc(C(=O)NN)cc(OCc3cc(OCCCC)c(OCCCC)c(OCCCC)c3)c2OCc2cc(OCCCC)c(OCCCC)c(OCCCC)c2)cc(OCCCC)c1OCCCC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 8/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HTR2A P28223 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
P2RX3 P56373 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CNR2 P34972 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40
SMPD1 P17405 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL28599541 0.86 SMPD1 (0.51) SLC6A5MEN1KMT2ASMPD1TSHR
SCHEMBL16015397 0.85 LMNA (0.47) SLC6A5MAPTSMN1; SMN2NPC1LMNA
SCHEMBL969363 0.85 SMPD1 (0.53) SLC6A5MEN1KMT2AMAPTLMNA
SCHEMBL28949956 0.85 SMPD1 (0.53) SLC6A5MEN1KMT2AMAPTLMNA
SCHEMBL6111633 0.85 SMPD1 (0.53) SLC6A5MEN1KMT2AMAPTLMNA
SCHEMBL969081 0.85 SMPD1 (0.53) SLC6A5MEN1KMT2AMAPTLMNA
SCHEMBL10822340 0.82 SLC6A5 (0.63) SLC6A5ALDH1A1MAPTKDM4EHTR2A
SCHEMBL19549597 0.81 SMPD1 (0.46) LMNASMPD1TSHR
SCHEMBL13837233 0.80 PLA2G2A (0.55) ALDH1A1TSHR
SCHEMBL10822455 0.77 SLC6A5 (0.57) SLC6A5MEN1KMT2AMAPTHTR2A

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
US-9201001-B2 Visual detection of fluoride ions INDIAN INSTITUTE OF TECHNOLOGY MADRAS (IN) 2015-12-01 US disclosed
US-20140357894-A1 VISUAL DETECTION OF FLUORIDE IONS EMPIRE TECHNOLOGY DEVELOPMENT LLC 2014-12-04 US disclosed
US-8828735-B2 Visual detection of fluoride ions INDIAN INSTITUTE OF TECHNOLOGY MADRAS (IN) 2014-09-09 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-20140357894-A1 VISUAL DETECTION OF FLUORIDE IONS HNRNPL, HNRNPLL, ARAF SLC6A5 3385/4885MEN1 3189/4885KMT2A 1693/4885

“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.