SCHEMBL868008

SCHEMBL868008

BrC=C1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.41
CYP11B2 P19099 2/20 0.41
MAPK1 P28482 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TDP2 O95551 2/20 0.38
PLA2G1B P04054 2/20 0.38
S100A4 P26447 2/20 0.38
ATG4B Q9Y4P1 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CES2 O00748 1/20 0.38
APAF1 O14727 1/20 0.38
TERT O14746 1/20 0.38
NPC1 O15118 1/20 0.38
PLIN1 O60240 1/20 0.38
S1PR4 O95977 1/20 0.38
LMNA P02545 1/20 0.38
BCHE P06276 1/20 0.38
POLB P06746 1/20 0.38
PTPRC P08575 1/20 0.38

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
SCHEMBL8286839 0.76 ALDH1A1 (0.40) MAPK1MEN1KMT2AKDM4ELMNA
SCHEMBL4040169 0.76 CES1 (0.50) CYP19A1CYP11B2MEN1KMT2AKDM4E
SCHEMBL4522727 0.76 MAPK1 (0.43) MAPK1MEN1KMT2AKDM4EBCHE
SCHEMBL13963791 0.76 MAOA (0.50) CYP19A1MAPK1MEN1KMT2ATDP2
SCHEMBL8676274 0.76 CYP19A1 (0.46) CYP19A1CYP11B2MAPK1MEN1KMT2A
SCHEMBL12626934 0.76 ALDH1A1 (0.53) CYP19A1MAPK1MEN1KMT2APLA2G1B
SCHEMBL20306779 0.75 CYP19A1 (0.41) CYP19A1CYP11B2MAPK1MEN1KMT2A
SCHEMBL49870 0.71 MEN1 (0.61) MAPK1MEN1KMT2ATDP2PLA2G1B
SCHEMBL11875421 0.71 MEN1 (0.61) MAPK1MEN1KMT2ATDP2PLA2G1B
SCHEMBL58152 0.71 MEN1 (0.61) MAPK1MEN1KMT2ATDP2PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120074336-A1 LIGHT-DRIVEN ROTARY MOLECULAR MOTORS BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE (US) 2012-03-29 US disclosed
US-7964722-B2 Light-driven rotary molecular motors BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2011-06-21 US disclosed
US-20110077394-A1 LIGHT-DRIVEN ROTARY MOLECULAR MOTORS NATIONAL SCIENCE FOUNDATION 2011-03-31 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-20110077394-A1 LIGHT-DRIVEN ROTARY MOLECULAR MOTORS CCNA2, CCNO, SCO2 CYP19A1 3455/4885CYP11B2 2330/4885MAPK1 1556/4885

“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.