SCHEMBL5845733

SCHEMBL5845733

Brc1cc2c(nn1)c(Br)cc1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 4/20 0.43
HIF1A Q16665 2/20 0.43
CYP1B1 Q16678 1/20 0.43
NQO2 P16083 3/20 0.38
NISCH Q9Y2I1 1/20 0.37
TSHR P16473 2/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPM4 Q8TD43 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP2A6 P11509 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 4/20 0.34
CYP2C9 P11712 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL184768 0.71 ALDH1A1 (0.59) ALDH1A1HSD17B10HIF1ACYP1B1TSHR
SCHEMBL31540582 0.69 ALDH1A1 (0.71) ALDH1A1HSD17B10HIF1ACYP1B1TSHR
SCHEMBL2300244 0.69 ALDH1A1 (0.56) ALDH1A1HSD17B10HIF1ACYP1B1TSHR
SCHEMBL1233361 0.68 ALDH1A1 (0.70) ALDH1A1HSD17B10HIF1ACYP1B1TSHR
SCHEMBL6477443 0.68 BACE1 (0.44) NQO2
SCHEMBL5245198 0.67 KDM4E (0.55) ALDH1A1NQO2HPGDCYP2A6TDP1
SCHEMBL9612408 0.67 ALDH1A1 (0.61) ALDH1A1HSD17B10HIF1ACYP1B1NQO2
SCHEMBL14134074 0.67 ALDH1A1 (0.43) ALDH1A1HSD17B10HIF1ACYP1B1NISCH
SCHEMBL12038878 0.67 CYP1A2 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1NISCH
SCHEMBL8781123 0.67 ALDH1A1 (0.60) ALDH1A1HSD17B10HIF1ACYP1B1TSHR

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
EP-1370135-B1 CONTROLLED RELEASE PRODUCTS AND PROCESSES FOR THE PREPARATION THEREOF EVERRIS INTERNAT B V (NL) 2012-05-30 EP disclosed
US-6987082-B2 Controlled release products and processes for the preparation thereof OMS INVESTMENTS, INC. (US) 2006-01-17 US disclosed
US-20040069033-A1 Controlled release products and processes for the preparation thereof OMS INVESTMENTS, INC. 2004-04-15 US disclosed
US-6656882-B2 Coated products in particulate form which are structured to provide release profiles wherein initial release of active ingredients such as fertilizer nutrients is suppressed or for predetermined period and longevity for release within 60 days OMS INVESTMENTS, INC. 2003-12-02 US disclosed
US-20020168318-A1 Controlled release products and processes for the preparation thereof OMS INVESTMENTS, INC. 2002-11-14 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-20040069033-A1 Controlled release products and processes for the preparation thereof GHITM, LBR, VMA21 ALDH1A1 4756/4885HSD17B10 4386/4885HIF1A 2811/4885

“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.