SCHEMBL8300246

SCHEMBL8300246

CCCCOc1ccc(I)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.51
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
WDR5 P61964 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39

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
SCHEMBL12121506 0.85 TSHR (0.44) ESR1KDM4EALDH1A1LMNAMAPT
SCHEMBL26586908 0.84 KDM4E (0.38) ESR1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL1020226 0.82 ESR1 (0.46) ESR1KDM4EALDH1A1LMNAMAPT
SCHEMBL1021607 0.81 HPGD (0.40) KDM4EALDH1A1MAPTNPSR1CYP2C9
SCHEMBL6480994 0.81 KDM4E (0.39) ESR1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4473487 0.81 KDM4E (0.40) ESR1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3917609 0.81 KDM4E (0.39) ESR1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6705679 0.81 ESR1 (0.54) ESR1THRATHRBKDM4EALDH1A1
SCHEMBL30630148 0.81 ESR1 (0.54) ESR1THRATHRBKDM4EALDH1A1
SCHEMBL12428 0.81 SMN1; SMN2 (0.54) ESR1THRBKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150044293-A1 RADIOPROTECTOR COMPOUNDS GEORGETOWN UNIVERSITY (US) 2015-02-12 US disclosed
WO-2013138600-A1 RADIOPROTECTOR COMPOUNDS ROSEN ELIOT M (US) 2013-09-19 WO disclosed
US-8492582-B2 N-acyl anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-07-23 US disclosed
EP-2323982-B1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION UNIV GEORGETOWN (US) 2012-02-29 EP disclosed
US-20110275797-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2011-11-10 US disclosed
US-20110152339-A1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION GEORGETOWN UNIVERSITY 2011-06-23 US disclosed
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
WO-2010087430-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF 富山化学工業株式会社 (JP) 2010-08-05 WO disclosed
US-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 US disclosed
US-7238671-B2 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-7238670-B2 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
WO-2004094461-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
WO-2003033671-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-24 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 (5 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-20110152339-A1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION RASSF5, RASSF2, MKI67 ESR1 2137/4885THRA 4005/4885THRB 4226/4885
US-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, IAPP, GIPR ESR1 3362/4885THRA 462/4885THRB 429/4885
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, IAPP, GIPR ESR1 3362/4885THRA 462/4885THRB 429/4885
US-20110275797-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF COL14A1, COL2A1, COL1A1 ESR1 3682/4885THRA 2481/4885THRB 4261/4885
US-20150044293-A1 RADIOPROTECTOR COMPOUNDS DDB1, CASP3, BAD ESR1 2781/4885THRA 3145/4885THRB 2421/4885

“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.