SCHEMBL4119366

SCHEMBL4119366

CC(=O)c1cc(OC2CCCCO2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD11B1 P28845 1/20 0.40
ATM Q13315 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPN1 P18031 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
DHFR P00374 1/20 0.36
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
CREBBP Q92793 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL2968461 0.90 ALDH1A1 (0.50) MAOBMAOAALDH1A1CYP3A4HPGD
SCHEMBL30065877 0.90 ALDH1A1 (0.50) MAOBMAOAALDH1A1CYP3A4HPGD
SCHEMBL22789783 0.88 ACMSD (0.48) MAOBMEN1KMT2AHSD11B1ATM
SCHEMBL3905489 0.87 CA12 (0.46) MEN1KMT2AHSD11B1LMNASMN1; SMN2
SCHEMBL6908438 0.87 GAA (0.41) MEN1KMT2AHSD11B1LMNASMN1; SMN2
SCHEMBL5618972 0.84 MEN1 (0.43) MEN1KMT2AHSD11B1LMNASMN1; SMN2
SCHEMBL27445640 0.83 HSD11B1 (0.41) MEN1KMT2AHSD11B1LMNASMN1; SMN2
SCHEMBL3685410 0.83 MAOB (0.43) MAOBMAOAMEN1KMT2AHSD11B1
SCHEMBL18259637 0.82 THRB (0.40) MEN1KMT2AATMSMN1; SMN2ALDH1A1
SCHEMBL30900827 0.81 HSD11B1 (0.43) MEN1KMT2AHSD11B1ATMPTPN1

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-9187460-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS, INC. (US) 2015-11-17 US disclosed
US-9187460-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS, INC. (US) 2015-11-17 US disclosed
US-9187460-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS, INC. (US) 2015-11-17 US disclosed
US-20140364427-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF SERAGON PHARMACEUTICALS, INC. 2014-12-11 US disclosed
US-20140364427-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF SERAGON PHARMACEUTICALS, INC. 2014-12-11 US disclosed
US-20140364427-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF SERAGON PHARMACEUTICALS, INC. 2014-12-11 US disclosed
EP-2791132-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF Seragon Pharmaceuticals, Inc. (US) 2014-10-22 EP disclosed
WO-2013090829-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-06-20 WO disclosed
WO-2013090829-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-06-20 WO disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 EP 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-20140364427-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 MAOB 2274/4885MAOA 2144/4885MEN1 4457/4885
US-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 MAOB 1269/4885MAOA 1717/4885MEN1 1361/4885

“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.