SCHEMBL5114053

SCHEMBL5114053

O=C(Cc1ccc(O)cc1)N(CCc1cccc(OCc2ccccc2)c1)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.54
LTB4R2 Q9NPC1 4/20 0.54
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
PKM P14618 1/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
BLM P54132 1/20 0.50
CASP6 P55212 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALOX5 P09917 4/20 0.49
NR4A2 P43354 1/20 0.49
BCHE P06276 2/20 0.48
PTGES O14684 1/20 0.47
LTC4S Q16873 1/20 0.47

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
SCHEMBL5104714 0.91 FFAR1 (0.52) LTB4RLTB4R2KMT2AMEN1ALDH1A1
SCHEMBL5105041 0.89 LTB4R (0.53) LTB4RLTB4R2KMT2AALOX5BCHE
SCHEMBL5108999 0.89 KMT2A (0.54) LTB4RLTB4R2KMT2AMEN1ALDH1A1
SCHEMBL14032110 0.89 ALOX5 (0.49) LTB4RLTB4R2KMT2AALOX5NR4A2
SCHEMBL5116145 0.86 LTB4R (0.53) LTB4RLTB4R2KMT2AMEN1ALDH1A1
SCHEMBL5107773 0.85 LTB4R (0.55) LTB4RLTB4R2KMT2AMEN1ALDH1A1
SCHEMBL5102423 0.84 ALOX5 (0.56) LTB4RLTB4R2KMT2AALOX5NR4A2
SCHEMBL7237833 0.83 LTB4R (0.50) LTB4RLTB4R2KMT2AMEN1ALDH1A1
SCHEMBL7811362 0.82 LTB4R (0.56) LTB4RLTB4R2KMT2AMEN1ALDH1A1
SCHEMBL5106882 0.81 LTB4R (0.58) LTB4RLTB4R2ALOX5BCHEMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435729-B2 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-14 US disclosed
US-7279489-B2 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, LLC (US) 2007-10-09 US disclosed
US-20050004360-A1 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, INC. 2005-01-06 US disclosed
US-20040082575-A1 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-6686351-B2 PARTIALLY HYDROGENATED FUSED INDENE, NAPHTHALENE, ISOINDOLE, ISOQUINOLINE, BENZOAZEPINE AND BENZOCYCLOHEPTENE DERIVATIVES SUBSTITUTED BY A HYDROXY GROUP OR DERIVATIVE AND AN ARYL OR N-HETEROARYL GROUP SIGNAL PHARMACEUTICALS, INC. 2004-02-03 US disclosed
US-6593322-B1 Methods are disclosed for modulating ER- beta in cell and/or tissues expressing the same, including cells and/ or tissue that preferentially ER- beta . Methods for treating estrogen-related conditions are also disclosed, including SIGNAL PHARMACEUTICALS, INC. 2003-07-15 US disclosed
US-20030087901-A1 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, INC. 2003-05-08 US disclosed
US-6436923-B1 ESTROGEN ANTAGONISTS AND/OR AGONISTS FOR TREATING ESTROGEN-RELATED CONDITIONS SIGNAL PHARMACEUTICALS, INC. 2002-08-20 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 (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-20050004360-A1 Compounds and methods for modulation of estrogen receptors ESRRB, ESR2, ESRRA LTB4R 2982/4885LTB4R2 2804/4885KMT2A 1658/4885
US-20030087901-A1 Compounds and methods for modulation of estrogen receptors ESRRB, ESRRA, ESR2 LTB4R 3297/4885LTB4R2 3182/4885KMT2A 1405/4885
US-20040082575-A1 Compounds and methods for modulation of estrogen receptors ESRRB, ESRRA, ESR2 LTB4R 2619/4885LTB4R2 2521/4885KMT2A 1547/4885

“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.