SCHEMBL19946503

SCHEMBL19946503

O=CNc1ccc(OCc2ccc(Br)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.56
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
MAOB P27338 7/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
FFAR1 O14842 2/20 0.51
FFAR4 Q5NUL3 1/20 0.51
AR P10275 1/20 0.51
MAOA P21397 5/20 0.50
PPARA Q07869 2/20 0.47
SMPD1 P17405 1/20 0.47
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP14 P50281 1/20 0.46
ADAM17 P78536 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46

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
SCHEMBL19946513 0.84 APP (0.56) APPMAOBFFAR1SMPD1
SCHEMBL19946510 0.84 MAOB (0.56) APPMAOBARMAOAPPARA
SCHEMBL19946509 0.84 MAOB (0.54) APPMAOBARMAOA
SCHEMBL4673711 0.83 BCHE (0.59) MAOBAR
SCHEMBL19946500 0.81 RAB9A (0.42) APPARSIRT2SIRT1SIRT3
SCHEMBL2399080 0.80 APP (0.80) APPRXRARXRBMAOBCA12
SCHEMBL19946511 0.79 MAPT (0.60) MAOBCA12CA1CA2CA7
SCHEMBL515529 0.78 ALDH1A1 (0.56) MAOBCA12CA1CA2MAOA
SCHEMBL865744 0.78 MAOB (0.67) APPRXRARXRBMAOBCA12
SCHEMBL16295330 0.78 MAOB (0.67) APPRXRARXRBMAOBCA12

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-20190161439-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION BASSERU CHEMICAL CO., LTD. (JP) 2019-05-30 US disclosed
EP-3309145-A1 MARINE PERIPHYTON REPELLENT COMPOSITION Basseru Chemical Co., Ltd. (JP) 2018-04-18 EP disclosed
US-20180072657-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION BASSERU CHEMICAL CO., LTD. (JP) 2018-03-15 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 (2 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-20180072657-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION CCL11, SPTLC3, C3AR1 APP 4609/4885RXRA 3899/4885RXRB 3692/4885
US-20190161439-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION CCL11, SPTLC3, C3AR1 APP 4609/4885RXRA 3899/4885RXRB 3692/4885

“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.