SCHEMBL3731371

SCHEMBL3731371

CCCCC(CC)Cc1ccc2cc3cc4cc5cc(CC(CC)CCCC)ccc5cc4cc3cc2c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 4/20 0.51
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
ALDH1A1 P00352 6/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
CA2 P00918 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL3723663 1.00 BDKRB2 (0.51) BDKRB2HTR2AHTR2CHTR2BALDH1A1
SCHEMBL15301082 0.95 BDKRB2 (0.47) BDKRB2HTR2AHTR2CHTR2BALDH1A1
SCHEMBL6656944 0.95 BDKRB2 (0.47) BDKRB2HTR2AHTR2CHTR2BALDH1A1
SCHEMBL14353644 0.86 BDKRB2 (0.56) BDKRB2HTR2AHTR2CHTR2BCYP1A2
SCHEMBL28163233 0.86 BDKRB2 (0.56) BDKRB2HTR2AHTR2CHTR2BCYP1A2
SCHEMBL28033428 0.86 BDKRB2 (0.45) BDKRB2TDP1CYP3A4CYP1A2CYP2A6
SCHEMBL16807625 0.84 BDKRB2 (0.41) BDKRB2HTR2AHTR2CHTR2BALDH1A1
SCHEMBL153634 0.83 BDKRB2 (0.48) BDKRB2ALDH1A1TDP1CYP3A4TSHR
SCHEMBL28033478 0.82 BDKRB2 (0.40) BDKRB2ALDH1A1CYP3A4TSHRCA2
SCHEMBL20342362 0.82 BDKRB2 (0.40) BDKRB2HTR2AHTR2CHTR2BALDH1A1

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-20070141747-A1 Electronic device fabrication process XEROX CORPORATION 2007-06-21 US claimed
EP-1433211-B1 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M INNOVATIVE PROPERTIES CO (US) 2006-06-21 EP claimed
US-6864396-B2 Comprise at least one substituent selected from electron-donating substituents, halogen substituents, and combinations thereof; organic thin-film transistors 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-08 US claimed
EP-1433211-A2 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M Innovative Properties Company (US) 2004-06-30 EP claimed
US-20030105365-A1 Comprise at least one substituent selected from electron-donating substituents, halogen substituents, and combinations thereof; organic thin-film transistors 3M INNOVATIVE PROPERTIES COMPANY 2003-06-05 US claimed
WO-2003028125-A2 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-04-03 WO claimed
US-7651885-B2 Electronic device fabrication process XEROX CORPORATION (US) 2010-01-26 US disclosed
US-20070141747-A1 Electronic device fabrication process XEROX CORPORATION 2007-06-21 US disclosed
EP-1433211-B1 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M INNOVATIVE PROPERTIES CO (US) 2006-06-21 EP disclosed
US-20050288522-A1 Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES COMPANY 2005-12-29 US disclosed
US-6974877-B2 Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-12-13 US disclosed
US-6864396-B2 Comprise at least one substituent selected from electron-donating substituents, halogen substituents, and combinations thereof; organic thin-film transistors 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-08 US disclosed
EP-1433211-A2 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M Innovative Properties Company (US) 2004-06-30 EP disclosed
US-20030105365-A1 Comprise at least one substituent selected from electron-donating substituents, halogen substituents, and combinations thereof; organic thin-film transistors 3M INNOVATIVE PROPERTIES COMPANY 2003-06-05 US disclosed
US-20030100779-A1 Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES COMPANY 2003-05-29 US disclosed
WO-2003028125-A2 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-04-03 WO 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-20050288522-A1 Process for preparing pentacene derivatives RARA, RARB, C9 BDKRB2 1711/4885HTR2A 532/4885HTR2C 1540/4885
US-20030105365-A1 Comprise at least one substituent selected from electron-donating substituents, halogen substituents, and combinations thereof; organic thin-film transistors ETV1, HTR3C, SLC43A1 BDKRB2 4037/4885HTR2A 92/4885HTR2C 48/4885
US-20030100779-A1 Process for preparing pentacene derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PCBP1, RARA BDKRB2 2386/4885HTR2A 851/4885HTR2C 1748/4885

“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.