SCHEMBL2985677

SCHEMBL2985677

COC1(c2ccccc2)Cc2ccccc2OC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PPIB P23284 1/20 0.33
HTR2A P28223 2/20 0.32
HRH1 P35367 2/20 0.32
HTR2B P41595 2/20 0.32
CYP2C9 P11712 2/20 0.32
POLB P06746 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
HTR2C P28335 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
APEX1 P27695 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30

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
SCHEMBL29133215 0.76 MAOA (0.45) MAOAMAOBHTR2AHRH1HTR2B
SCHEMBL754484 0.73 MAOA (0.38) MAOAMAOBHTR2AHRH1HTR2B
SCHEMBL21248511 0.73 MAOB (0.38) MAOAMAOBHTR2AHRH1HTR2B
SCHEMBL29798795 0.72 MAOA (0.43) MAOAMAOBCYP2C9POLBL3MBTL1
SCHEMBL7783926 0.72 MAOA (0.43) MAOAMAOBCYP2C9POLBL3MBTL1
SCHEMBL31653943 0.71 MAOA (0.35) MAOAMAOBPPIBHTR2AHRH1
SCHEMBL8934572 0.70 HTT (0.42) PPIBL3MBTL1MEN1KMT2A
SCHEMBL31015957 0.68 MAOA (0.43) MAOAMAOBHTR2AHRH1HTR2B
SCHEMBL28616256 0.68 MAOA (0.43) MAOAMAOBHTR2AHRH1HTR2B
SCHEMBL3679517 0.68 CYP2C9 (0.35) CYP2C9MEN1TSHRKMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150150770-A1 METHODS OF TREATING SKIN TRACIE MARTYN INTERNATIONAL INC (US) 2015-06-04 US disclosed
US-20140155961-A1 METHODS OF TREATING SKIN Tracie Martyn International, Inc. (US) 2014-06-05 US disclosed
US-20100272790-A1 Methods of Treating Skin TRACIE MARTYN INTERNATIONAL, LLC (US) 2010-10-28 US disclosed
US-7776915-B2 Topical formulations and methods of use TRACIE MARTYN INTERNATIONAL, LLC (US) 2010-08-17 US disclosed
US-7462478-B2 isolated from licorice; catalyzes a dehydration reaction of 2-hydroxy hisoflavanone NIHON UNIVERSITY (JP) 2008-12-09 US disclosed
US-20060216251-A1 Topical formulations and methods of use TRACIE MARTYN INTERNATIONAL, LLC (US) 2006-09-28 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 (4 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-20140155961-A1 METHODS OF TREATING SKIN CUTA, LIPA, DLAT MAOA 334/4885MAOB 737/4885PPIB 1707/4885
US-20100272790-A1 Methods of Treating Skin CUTA, LIPA, DLAT MAOA 334/4885MAOB 737/4885PPIB 1707/4885
US-20150150770-A1 METHODS OF TREATING SKIN CUTA, LIPA, DLAT MAOA 334/4885MAOB 737/4885PPIB 1707/4885
US-20060216251-A1 Topical formulations and methods of use CPT1B, SLC25A20, CPT1A MAOA 314/4885MAOB 757/4885PPIB 2220/4885

“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.