SCHEMBL891177

SCHEMBL891177

COc1ccc(C2(c3ccc(N(C)C)cc3)C=Cc3c(CO)cc4ccc(N5CCCC5)cc4c3O2)cc1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.32
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
BRAF P15056 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 3/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 2/20 0.30
TP53 P04637 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
SCHEMBL12659492 0.81 MAPT (0.35) MAPTLMNASMN1; SMN2HTTTDP1
SCHEMBL5645606 0.80 MAPT (0.35) MAPTLMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL7936515 0.79 KEAP1 (0.42) MAPTKMT2AALDH1A1
SCHEMBL7479868 0.79 MEN1 (0.40) MAPTLMNASMN1; SMN2HTTKMT2A
SCHEMBL1845080 0.79 KEAP1 (0.38) MAPTLMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL5649476 0.79 RAB9A (0.39) MAPTSMN1; SMN2TDP1KMT2AALDH1A1
SCHEMBL14302089 0.77 CNR2 (0.32) MAPTSMN1; SMN2HTT
SCHEMBL6480424 0.77 SLC2A1 (0.32) LMNAEDNRBEDNRAHTTKMT2A
SCHEMBL9928123 0.76 BRAF (0.35) MAPTLMNASMN1; SMN2EDNRBEDNRA
SCHEMBL7115389 0.76 KMT2A (0.36) MAPTLMNASMN1; SMN2EDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722076-B2 Photochrome- or near IR dye-coupled polymeric matrices for medical articles SURMODICS, INC. (US) 2014-05-13 US disclosed
US-8722076-B2 Photochrome- or near IR dye-coupled polymeric matrices for medical articles SURMODICS, INC. (US) 2014-05-13 US disclosed
US-20120082713-A1 PHOTOCHROME- OR NEAR IR DYE-COUPLED POLYMERIC MATRICES FOR MEDICAL ARTICLES BANK OF MONTREAL, AS COLLATERAL AGENT 2012-04-05 US disclosed
US-20120082713-A1 PHOTOCHROME- OR NEAR IR DYE-COUPLED POLYMERIC MATRICES FOR MEDICAL ARTICLES BANK OF MONTREAL, AS COLLATERAL AGENT 2012-04-05 US disclosed
US-20120082713-A1 PHOTOCHROME- OR NEAR IR DYE-COUPLED POLYMERIC MATRICES FOR MEDICAL ARTICLES BANK OF MONTREAL, AS COLLATERAL AGENT 2012-04-05 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-20120082713-A1 PHOTOCHROME- OR NEAR IR DYE-COUPLED POLYMERIC MATRICES FOR MEDICAL ARTICLES IK, PIR, PLOD1 MAPT 836/4885LMNA 2754/4885SMN1; SMN2 2269/4885

“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.