SCHEMBL412429

SCHEMBL412429

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.50
MAPT P10636 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP3A4 P08684 6/20 0.45
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 3/20 0.44
PSMD14 O00487 1/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 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
SCHEMBL6550540 0.88 SHBG (0.61) SHBGMAPTNPC1RAB9ACYP3A4
SCHEMBL29065752 0.85 SHBG (0.53) SHBGRAB9ACYP3A4ALDH1A1CYP2D6
SCHEMBL12780419 0.83 SHBG (0.52) SHBGMAPTRAB9ACYP3A4ALDH1A1
SCHEMBL415673 0.81 SHBG (0.50) SHBGMAPTCYP3A4ALDH1A1TDP1
SCHEMBL4581674 0.81 SHBG (0.50) SHBGMAPTCYP3A4ALDH1A1TDP1
SCHEMBL14848456 0.79 SHBG (0.47) SHBGMAPTNPC1RAB9ACYP3A4
SCHEMBL14825135 0.79 SHBG (0.47) SHBGMAPTNPC1RAB9ACYP3A4
SCHEMBL18286393 0.79 SHBG (0.47) SHBGMAPTNPC1RAB9ACYP3A4
SCHEMBL15458105 0.79 MAPT (0.57) MAPTNPC1RAB9ACYP3A4ALDH1A1
SCHEMBL27269589 0.78 RAB9A (0.57) MAPTNPC1RAB9ACYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140034623-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2014-02-06 US disclosed
EP-2283021-B1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2014-01-08 EP disclosed
US-8586745-B2 Switchable special effect substances BASF SE (DE) 2013-11-19 US disclosed
US-8501046-B2 Use of rylene derivatives as photosensitizers in solar cells BASF SE (DE) 2013-08-06 US disclosed
US-20120283432-A1 USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS MAX-PLANCK-GESEL. ZUR FOERDERUNG DER WISSEN. E.V. (DE) 2012-11-08 US disclosed
US-8304514-B2 Conjugated polymer, method for preparing the same, and optoelectronic device employing the same NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2012-11-06 US disclosed
US-8304514-B2 Conjugated polymer, method for preparing the same, and optoelectronic device employing the same NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2012-11-06 US disclosed
US-8304514-B2 Conjugated polymer, method for preparing the same, and optoelectronic device employing the same NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2012-11-06 US disclosed
US-8231809-B2 Solid p-semiconductors may also be used in the inventive dye-sensitized solar cells without increasing the cell resistance, since the rylene derivatives absorb strongly and therefore require only thin n-semiconductor layers BASF AKTIENGESELLSCHAFT (DE) 2012-07-31 US disclosed
US-20120017994-A1 CONJUGATED POLYMER, METHOD FOR PREPARING THE SAME, AND OPTOELECTRONIC DEVICE EMPLOYING THE SAME NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2012-01-26 US disclosed
US-20120017994-A1 CONJUGATED POLYMER, METHOD FOR PREPARING THE SAME, AND OPTOELECTRONIC DEVICE EMPLOYING THE SAME NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2012-01-26 US disclosed
US-20120017994-A1 CONJUGATED POLYMER, METHOD FOR PREPARING THE SAME, AND OPTOELECTRONIC DEVICE EMPLOYING THE SAME NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2012-01-26 US disclosed
US-20110060113-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2011-03-10 US disclosed
EP-2283021-A2 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2011-02-16 EP disclosed
WO-2009141288-A2 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2009-11-26 WO disclosed
US-20080269482-A1 Use of Rylene Derivatives as Photosensitizers in Solar Cells BASF SE (DE) 2008-10-30 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-20120283432-A1 USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS NR2E3, NR2E1, NR1D2 SHBG 1923/4885MAPT 4643/4885NPC1 2786/4885
US-20110060113-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES PPARG, PTGER4, NR2E3 SHBG 628/4885MAPT 571/4885NPC1 1399/4885
US-20080269482-A1 Use of Rylene Derivatives as Photosensitizers in Solar Cells NR2E3, NR2E1, NR1D2 SHBG 1957/4885MAPT 4655/4885NPC1 2781/4885

“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.