SCHEMBL12596158

SCHEMBL12596158

CCCCOc1c(F)cc(Br)c2c1c(CC(=O)O)cn2C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.49
THRA P10827 6/20 0.49
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
PTGER4 P35408 1/20 0.34
ESR1 P03372 2/20 0.34
PLA2G2A P14555 1/20 0.33
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCND2 P30279 1/20 0.33
CCND3 P30281 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
CDC25A P30304 1/20 0.32

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
SCHEMBL12596164 0.88 THRA (0.39) THRBTHRAMTNR1AMTNR1BESR1
SCHEMBL1163721 0.83 THRA (0.44) THRBTHRAPTGER4
SCHEMBL12874846 0.76 THRB (0.50) THRBTHRAMTNR1AMTNR1BCCNB2
SCHEMBL13062425 0.70 THRB (0.68) THRBTHRA
SCHEMBL13592865 0.69 HTR6 (0.38) THRBTHRA
SCHEMBL12596160 0.69 THRA (0.36) THRBTHRAPLA2G2ACCNB2CCNE2
SCHEMBL12559042 0.68 MTNR1A (0.39) MTNR1AMTNR1B
SCHEMBL4890007 0.67 THRB (1.00) THRBTHRA
SCHEMBL1163565 0.67 PTGER4 (0.39) THRBPTGER4CDC25A
SCHEMBL17468145 0.66 PLA2G2A (0.54) THRBTHRAPLA2G2A

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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 WO 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 (3 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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT THRB 2538/4885THRA 3898/4885MTNR1A 65/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT THRB 2538/4885THRA 3898/4885MTNR1A 65/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT THRB 2538/4885THRA 3898/4885MTNR1A 65/4885

“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.