SCHEMBL13315789

SCHEMBL13315789

Cc1ccc(-c2cn(-c3cc4ccc(O)cc4oc3=O)nn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 11/20 0.56
▸ HSD17B3 P37058 1/20 0.47
▸ ESR2 Q92731 2/20 0.45
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ HSD17B1 P14061 1/20 0.43
▸ HSD17B2 P37059 1/20 0.43
▸ ADRA1A P35348 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ SIRT3 Q9NTG7 1/20 0.42
▸ ERAP1 Q9NZ08 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ GLA P06280 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL13315790 0.89 MIF (0.54) MIFHSD17B3ESR2HSD17B1HSD17B2
SCHEMBL13315784 0.85 KDM4E (0.47) MAOAMAOBMEN1KMT2ARAB9A
SCHEMBL13315792 0.84 CA12 (0.47) MEN1KMT2ARAB9ANPC1GLA
SCHEMBL13315793 0.79 TDP1 (0.47) MIFHSD17B3ESR2ADRA1AMEN1
SCHEMBL19491276 0.76 ESRRB (0.47) MIFHSD17B3ESR2MAOAMAOB
SCHEMBL2248079 0.75 BCHE (0.44) MIFNPC1PTGS1MAPT
SCHEMBL3550958 0.75 SRC (0.52) MIFMAOBRAB9ANPC1KDM4E
SCHEMBL32687713 0.75 ESRRB (0.37) MIFADRA1AMEN1KMT2AKDM4E
SCHEMBL32687362 0.74 ESRRB (0.35) MIFADRA1AMEN1KMT2AGLA
SCHEMBL10069265 0.73 ADRA1A (0.35) MIFMAOBADRA1AKDM4EALDH1A1

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-20140010762-A1 IMAGING AGENTS CHROMA THERAPEUTICS LTD (GB) 2014-01-09 — — US disclosed
US-20140010762-A1 IMAGING AGENTS CHROMA THERAPEUTICS LTD (GB) 2014-01-09 — — US disclosed
US-7745229-B2 Chemoselective fluorgenic molecular linkers and methods for their preparation and use UNIVERSITY OF SOUTH CAROLINA 2010-06-29 — — US disclosed
US-7745229-B2 Chemoselective fluorgenic molecular linkers and methods for their preparation and use UNIVERSITY OF SOUTH CAROLINA 2010-06-29 — — US disclosed
US-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use UNIVERSITY OF SOUTH CAROLINA (US) 2007-09-27 — — US disclosed
US-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use UNIVERSITY OF SOUTH CAROLINA (US) 2007-09-27 — — 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-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use KIT, HLCS, ALK MIF 2786/4885HSD17B3 4497/4885ESR2 4310/4885
US-20140010762-A1 IMAGING AGENTS CES1, CES2, NCEH1 MIF 3799/4885HSD17B3 255/4885ESR2 2573/4885

“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.

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