SCHEMBL16015397

SCHEMBL16015397

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC6A5 Q9Y345 3/20 0.44
NPC1 O15118 1/20 0.43
CASP1 P29466 1/20 0.43
RAB9A P51151 1/20 0.43
TNFRSF1A P19438 1/20 0.41

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
SCHEMBL19549597 0.95 SMPD1 (0.46) LMNAHPGDTSHR
SCHEMBL7997525 0.90 SLC6A5 (0.50) MAPTSLC6A5NPC1CASP1RAB9A
SCHEMBL16015400 0.90 NPC1 (0.44) LMNAHPGDMAPTSMN1; SMN2NPC1
SCHEMBL19565354 0.89 S1PR2 (0.47) TSHR
SCHEMBL28591699 0.86 SMPD1 (0.51)
SCHEMBL16015398 0.85 SLC6A5 (0.46) LMNATSHRMAPTSMN1; SMN2SLC6A5
SCHEMBL20339394 0.85 PLA2G2A (0.50)
SCHEMBL15726531 0.84 SMPD1 (0.53)
SCHEMBL2018917 0.84 SMPD1 (0.53)
SCHEMBL3797840 0.84 SMPD1 (0.53)

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 LMNA 1059/4885HPGD 2867/4885TSHR 2136/4885

“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.