SCHEMBL15522258

SCHEMBL15522258

CCCCCCOc1cc(-c2nc3c(C)cccc3o2)c(OCCCCCC)cc1C=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 2/20 0.39
CEPT1 Q9Y6K0 1/20 0.38
MCHR1 Q99705 2/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
F2RL3 Q96RI0 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 2/20 0.34
S1PR5 Q9H228 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TLR8 Q9NR97 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PTPN11 Q06124 2/20 0.33

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
SCHEMBL15615142 0.94 AGPAT2 (0.39) AGPAT2CEPT1MCHR1THRATHRB
SCHEMBL15522352 0.83 AGPAT2 (0.40) AGPAT2CEPT1MCHR1THRATHRB
SCHEMBL15522294 0.79 TP53 (0.37) AGPAT2CEPT1THRBF2RL3TP53
SCHEMBL15615127 0.77 TP53 (0.36) AGPAT2CEPT1THRBF2RL3TP53
SCHEMBL31078471 0.72 LMNA (0.44) GAATDP1L3MBTL1SMN1; SMN2
SCHEMBL26103495 0.72 LMNA (0.44) GAATDP1L3MBTL1SMN1; SMN2
SCHEMBL18901651 0.72 LMNA (0.44) GAATDP1L3MBTL1SMN1; SMN2
SCHEMBL278733 0.72 LMNA (0.44) GAATDP1L3MBTL1SMN1; SMN2
SCHEMBL3628620 0.72 LMNA (0.44) GAATDP1L3MBTL1SMN1; SMN2
SCHEMBL28421317 0.71 LMNA (0.46) THRBGAATDP1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845318-B2 Class of near infrared optical probes for biological applications THE UNIVERSITY OF AKRON (US) 2017-12-19 US disclosed
US-9090602-B2 Class of near infrared optical probes for biological applications THE UNIVERSITY OF AKRON (US) 2015-07-28 US disclosed
US-20150148631-A1 CLASS OF NEAR INFRARED OPTICAL PROBES FOR BIOLOGICAL APPLICATIONS THE UNIVERSITY OF AKRON 2015-05-28 US disclosed
US-20140080168-A1 CLASS OF NEAR INFRARED OPTICAL PROBES FOR BIOLOGICAL APPLICATIONS THE UNIVERSITY OF AKRON (US) 2014-03-20 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-20140080168-A1 CLASS OF NEAR INFRARED OPTICAL PROBES FOR BIOLOGICAL APPLICATIONS ZKSCAN2, ZRANB2, ZFX AGPAT2 4573/4885CEPT1 3900/4885MCHR1 3231/4885

“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.