SCHEMBL868653

SCHEMBL868653

COc1cccc2c1Cc1c(OC)cccc1-2

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA4 P22748 2/20 0.59
CA6 P23280 1/20 0.59
ACHE P22303 2/20 0.53
PDGFRB P09619 1/20 0.49
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CYP19A1 P11511 2/20 0.47
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44
TOP1 P11387 1/20 0.44

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
SCHEMBL8854649 0.86 DRD2 (0.54) CA1CA2CA4CA6DRD2
SCHEMBL16569613 0.81 CYP19A1 (0.56) CA1CA2CA4CA6ACHE
SCHEMBL6901761 0.79 DRD2 (0.56) CA1CA2CA4CA6CA12
SCHEMBL7604961 0.77 ACHE (0.50) CA1CA2CA4CA6ACHE
SCHEMBL6907003 0.76 DRD2 (0.62) CA1CA2CA4ACHECA12
SCHEMBL20594366 0.76 KDM4E (0.68) CA1CA2CA4CA6ACHE
Ammonia Solution, Strong SCHEMBL3583671 0.74 DRD2 (0.61) CA1CA2CA4CA12CA7
SCHEMBL8004728 0.73 KDM4E (0.70) CA1CA2CA4CA12CA7
SCHEMBL6804044 0.73 ACHE (0.46) CA1CA2CA4CA6ACHE
SCHEMBL165220 0.73 KDM4E (0.61) ACHECYP19A1TOP1

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 CA1 1634/4885CA2 642/4885CA4 2098/4885

“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.