SCHEMBL7604038

SCHEMBL7604038

CC(C)CN(CC(C)C)c1ccc(N(c2ccc(N(CC(C)C)CC(C)C)cc2)c2ccc(N(CC(C)C)CC(C)C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
TSHR P16473 2/20 0.39
GFER P55789 2/20 0.39
CYP3A4 P08684 2/20 0.39
PSMD14 O00487 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ESRRG P62508 1/20 0.38
ALDH3A1 P30838 1/20 0.37
ALDH1A3 P47895 1/20 0.37
CNR2 P34972 2/20 0.34
AR P10275 1/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
GAA P10253 3/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL2008867 1.00 ALDH1A1 (0.39) ALDH1A1TSHRGFERCYP3A4PSMD14
SCHEMBL6650498 1.00 ALDH1A1 (0.39) ALDH1A1TSHRGFERCYP3A4PSMD14
SCHEMBL2952375 0.93 ALDH1A1 (0.50) ALDH1A1TSHRGFERCYP3A4PSMD14
SCHEMBL20207411 0.86 CNR2 (0.40) ALDH1A1ESRRGCNR2ARGAA
SCHEMBL7602263 0.86 ESRRG (0.33) ALDH1A1TSHRGFERCYP3A4PSMD14
SCHEMBL6650493 0.83 AOC3 (0.41) ALDH1A1TSHRGFERCYP3A4PSMD14
SCHEMBL22620086 0.83 ESRRG (0.34) ALDH1A1TSHRGFERCYP3A4PSMD14
SCHEMBL22821889 0.83 CYP2C19 (0.47) ALDH1A1TSHRTDP1CNR2AR
SCHEMBL22821888 0.81 MAPT (0.40) ALDH1A1MAPK1RECQLTDP1L3MBTL1
SCHEMBL6657111 0.81 ALDH1A1 (0.37) ALDH1A1TSHRGFERCYP3A4PSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020255927-A1 OPTICAL FILTER, IMAGING DEVICE, AND OPTICAL SENSOR AGC株式会社 2020-12-24 WO disclosed
US-9069245-B2 Near-infrared absorptive layer-forming composition and multilayer film SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-06-30 US disclosed
US-9069245-B2 Near-infrared absorptive layer-forming composition and multilayer film SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-06-30 US disclosed
US-8722307-B2 Near-infrared absorptive layer-forming composition and multilayer film comprising near-infrared absorptive layer INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-05-13 US disclosed
US-8722307-B2 Near-infrared absorptive layer-forming composition and multilayer film comprising near-infrared absorptive layer INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-05-13 US disclosed
US-8323536-B2 Near-infrared absorbing dye, near-infrared absorptive film-forming composition, and near-infrared absorptive film SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-12-04 US disclosed
US-20120301828-A1 NEAR-INFRARED ABSORPTIVE LAYER-FORMING COMPOSITION AND MULTILAYER FILM COMPRISING NEAR-INFRARED ABSORPTIVE LAYER INTERNATIONAL BUSINESS MACHINES CORPORATION 2012-11-29 US disclosed
US-20120301828-A1 NEAR-INFRARED ABSORPTIVE LAYER-FORMING COMPOSITION AND MULTILAYER FILM COMPRISING NEAR-INFRARED ABSORPTIVE LAYER INTERNATIONAL BUSINESS MACHINES CORPORATION 2012-11-29 US disclosed
US-20120119171-A1 NEAR-INFRARED ABSORBING DYE, NEAR-INFRARED ABSORPTIVE FILM-FORMING COMPOSITION, AND NEAR-INFRARED ABSORPTIVE FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20110262863-A1 NEAR-INFRARED ABSORPTIVE LAYER-FORMING COMPOSITION AND MULTILAYER FILM INTERNATIONAL BUSINESS MACHINES CORPORATION 2011-10-27 US disclosed
US-20110262862-A1 NEAR-INFRARED ABSORPTIVE LAYER-FORMING COMPOSITION AND MULTILAYER FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-10-27 US disclosed
US-20110262862-A1 NEAR-INFRARED ABSORPTIVE LAYER-FORMING COMPOSITION AND MULTILAYER FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-10-27 US disclosed
US-20110262863-A1 NEAR-INFRARED ABSORPTIVE LAYER-FORMING COMPOSITION AND MULTILAYER FILM INTERNATIONAL BUSINESS MACHINES CORPORATION 2011-10-27 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-20120119171-A1 NEAR-INFRARED ABSORBING DYE, NEAR-INFRARED ABSORPTIVE FILM-FORMING COMPOSITION, AND NEAR-INFRARED ABSORPTIVE FILM SLCO2A1, SLC39A3, SLCO2B1 ALDH1A1 1150/4885TSHR 966/4885GFER 352/4885

“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.