SCHEMBL4357760

SCHEMBL4357760

Cc1ccc2c(Br)c(O)ccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.56
ESR2 Q92731 3/20 0.56
KMT2A Q03164 2/20 0.47
OPRK1 P41145 1/20 0.47
POLB P06746 2/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 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
SCHEMBL14573267 0.80 ALDH1A1 (0.51) ESR1ESR2KMT2AOPRK1POLB
SCHEMBL14029004 0.80 KMT2A (0.50) ESR1ESR2KMT2AOPRK1POLB
SCHEMBL15632250 0.80 KMT2A (0.50) KMT2AOPRK1POLBALDH1A1HPGD
SCHEMBL31556360 0.77 ALDH1A1 (0.41) ESR1ESR2POLBALDH1A1LMNA
SCHEMBL4659301 0.77 KDM4E (0.44) KMT2APOLBALDH1A1HSD17B10LMNA
SCHEMBL11001297 0.77 LMNA (0.46) POLBALDH1A1LMNAMAPTTP53
SCHEMBL15549942 0.77 KMT2A (0.47) ESR1ESR2KMT2AOPRK1POLB
SCHEMBL2884751 0.77 ALDH1A1 (0.41) ESR1ESR2POLBALDH1A1LMNA
SCHEMBL16914973 0.77 ALDH1A1 (0.45) KMT2APOLBALDH1A1HPGDHSD17B10
SCHEMBL12130369 0.77 ALDH1A1 (0.38) ESR1ESR2KMT2AOPRK1POLB

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans WYETH (US) 2009-02-12 US disclosed
US-7479500-B2 Antidepressant piperidine derivatives of heterocyclefused benzodioxans WYETH (US) 2009-01-20 US disclosed
US-7439364-B2 Process for the synthesis of derivatives of halo-[2,3-F] quinoline WYETH (US) 2008-10-21 US disclosed
US-7439364-B2 Process for the synthesis of derivatives of halo-[2,3-F] quinoline WYETH (US) 2008-10-21 US disclosed
US-7439364-B2 Process for the synthesis of derivatives of halo-[2,3-F] quinoline WYETH (US) 2008-10-21 US disclosed
US-7419986-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-09-02 US disclosed
CN-101239953-A Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans WYETH CORP (US) 2008-08-13 CN disclosed
CN-101230066-A Antidepressant piperidine derivatives of heterocycle-fused benzodioxans WYETH CORP (US) 2008-07-30 CN disclosed
CN-101143867-A Antidepressant indolealkyl derivatves of heterocyclefused benzodioxan methylamines WYETH CORP (US) 2008-03-19 CN disclosed
US-7335666-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-02-26 US disclosed
US-20040132714-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH 2004-07-08 US disclosed
CN-1509290-A Process for synthesis of derivatives of 2,30dihydro-1,4-dioxino-[2,3-f]quinoline 2004-06-30 CN disclosed
WO-2004024733-A1 ANTIDEPRESSANT PIPERIDINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2004-03-25 WO disclosed
WO-2004024731-A1 ANTIDEPRESSANT ARYLPIPERAZINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2004-03-25 WO disclosed
WO-2004024734-A1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH (US) 2004-03-25 WO disclosed
WO-2004024730-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2004-03-25 WO disclosed
US-6693197-B2 Process for the synthesis of derivatives of 2,3-dihydro-1,4-dioxino- [2,3-f] quinoline WYETH 2004-02-17 US disclosed
EP-1387845-A2 PROCESSES FOR THE SYNTHESIS OF DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO-(2,3-f) QUINOLINE Wyeth (US) 2004-02-11 EP disclosed
US-20020187983-A1 Process for the synthesis of derivatives of 2, 3-dihydro-1, 4-dioxino- [2, 3-f] quinoline WYETH 2002-12-12 US disclosed
WO-2002092602-A2 PROCESSES FOR THE SYNTHESIS OF DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO-[2,3-f] QUINOLINE WYETH (US) 2002-11-21 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-20020187983-A1 Process for the synthesis of derivatives of 2, 3-dihydro-1, 4-dioxino- [2, 3-f] quinoline CYP1A1, CYP2F1, CYP1B1 ESR1 1976/4885ESR2 836/4885KMT2A 1775/4885
US-20040132714-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CYP19A1, CRH, CYP17A1 ESR1 306/4885ESR2 639/4885KMT2A 3722/4885
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans HTR5A, OPRD1, CRH ESR1 403/4885ESR2 630/4885KMT2A 4253/4885

“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.