SCHEMBL17523398

SCHEMBL17523398

CC(C)(C)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.55
LTA4H P09960 1/20 0.52
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 5/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
GAA P10253 3/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
GLA P06280 2/20 0.49
KMT2A Q03164 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 3/20 0.43
HPGD P15428 3/20 0.43
POLB P06746 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL17523391 1.00 DPP4 (0.55) DPP4LTA4HALDH1A1KDM4EL3MBTL1
SCHEMBL17523390 1.00 DPP4 (0.55) DPP4LTA4HALDH1A1KDM4EL3MBTL1
SCHEMBL17523396 1.00 DPP4 (0.55) DPP4LTA4HALDH1A1KDM4EL3MBTL1
SCHEMBL10253262 0.98 LTA4H (0.53) DPP4LTA4HALDH1A1KDM4EL3MBTL1
SCHEMBL498360 0.85 MAPK1 (0.39) DPP4LTA4HALDH1A1KDM4EMAPT
SCHEMBL14379745 0.85 MAPK1 (0.39) DPP4LTA4HALDH1A1KDM4EMAPT
SCHEMBL23611278 0.82 DPP4 (0.65) DPP4LTA4HALDH1A1KDM4EL3MBTL1
SCHEMBL13707354 0.82 DPP4 (0.65) DPP4LTA4HALDH1A1KDM4EL3MBTL1
Alpha-Terthienyl SCHEMBL147274 0.82 DPP4 (0.65) DPP4LTA4HALDH1A1KDM4EL3MBTL1
SCHEMBL1105086 0.82 DPP4 (0.65) DPP4LTA4HALDH1A1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10766915-B2 Metal-based coordination complexes as photodynamic compounds and their use MCFARLAND SHERRI ANN (CA) 2020-09-08 US disclosed
US-9676806-B2 Metal-based thiophene photodynamic compounds and their use MCFARLAND SHERRI ANN (CA) 2017-06-13 US disclosed
US-9676806-B2 Metal-based thiophene photodynamic compounds and their use MCFARLAND SHERRI ANN (CA) 2017-06-13 US disclosed
US-20160229878-A1 METAL-BASED THIOPHENE PHOTODYNAMIC COMPOUNDS AND THEIR USE MCFARLAND SHERRI ANN (CA) 2016-08-11 US disclosed
US-9345769-B2 Metal-based thiophene photodynamic compounds and their use MCFARLAND SHERRI ANN (CA) 2016-05-24 US disclosed
US-20160039854-A1 METAL-BASED COORDINATION COMPLEXES AS PHOTODYNAMIC COMPOUNDS AND THEIR USE MCFARLAND SHERRI ANN (CA) 2016-02-11 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 (3 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-20160229878-A1 METAL-BASED THIOPHENE PHOTODYNAMIC COMPOUNDS AND THEIR USE TP53, PPOX, HMBS DPP4 451/4885LTA4H 1463/4885ALDH1A1 373/4885
US-20160039854-A1 METAL-BASED COORDINATION COMPLEXES AS PHOTODYNAMIC COMPOUNDS AND THEIR USE PIN1, PPIF, PPOX DPP4 866/4885LTA4H 2765/4885ALDH1A1 2483/4885
US-10766915-B2 Metal-based coordination complexes as photodynamic compounds and their use PIN1, PPIF, PPOX DPP4 866/4885LTA4H 2765/4885ALDH1A1 2483/4885

“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.