SCHEMBL7955089

SCHEMBL7955089

COCc1cc(OC)c(OC)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.52
CYP3A4 P08684 1/20 0.52
KDM4E B2RXH2 3/20 0.46
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
HMGCR P04035 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41

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
SCHEMBL17388702 0.95 TAAR1 (0.45) HTR2ACYP3A4ALDH1A1GAATDP1
SCHEMBL17394562 0.85 HTR2A (0.52) HTR2ACYP3A4KDM4ECYP19A1ALDH1A1
SCHEMBL18848840 0.84 TAAR1 (0.46) HTR2ACYP3A4KDM4EALDH1A1GAA
SCHEMBL22421791 0.84 TAAR1 (0.60) HTR2ACYP3A4KDM4EALDH1A1GAA
SCHEMBL22421793 0.84 PDE4A (0.52) HTR2ACYP3A4ALDH1A1TDP1MEN1
SCHEMBL24765333 0.82 HTR2A (0.61) HTR2ATAAR1
SCHEMBL13596101 0.82 HTR2A (0.52) HTR2AKDM4EALDH1A1TAAR1MAPK1
SCHEMBL18602111 0.81 TAAR1 (0.47) KDM4EALDH1A1GAATDP1MEN1
SCHEMBL7955087 0.81 HTR2A (0.48) HTR2ACYP3A4KDM4ECYP19A1ALDH1A1
SCHEMBL10049625 0.79 HTR2A (0.48) HTR2ATAAR1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116685846-A Electronic control of the pH of a solution near the electrode surface 罗伯特·博世有限公司 2023-09-01 CN disclosed
US-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 US disclosed
US-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 US disclosed
US-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2015-08-27 US disclosed
US-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2015-08-27 US disclosed
US-9045441-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2015-06-02 US disclosed
US-9045441-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2015-06-02 US disclosed
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2012-08-30 US disclosed
WO-2011023795-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-03-03 WO disclosed
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 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-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 HTR2A 226/4885CYP3A4 777/4885KDM4E 716/4885
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 HTR2A 222/4885CYP3A4 983/4885KDM4E 759/4885

“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.