SCHEMBL7122199

SCHEMBL7122199

C=CCS[C@@H]1c2ccc(OC)cc2OC[C@]1(C)c1ccc(OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.38
SIGMAR1 Q99720 3/20 0.38
HTR1A P08908 1/20 0.38
TMEM97 Q5BJF2 2/20 0.35
HTR7 P34969 1/20 0.35
ABCB1 P08183 2/20 0.35
BACE1 P56817 4/20 0.33
MAPT P10636 2/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CTSD P07339 2/20 0.32
NR3C1 P04150 1/20 0.32

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
SCHEMBL7119227 1.00 HTR2B (0.38) HTR2BSIGMAR1HTR1ATMEM97HTR7
SCHEMBL7593620 0.79 HTR2B (0.38) HTR2BSIGMAR1HTR1ATMEM97HTR7
SCHEMBL5856076 0.76 HTR2B (0.34) HTR2BSIGMAR1HTR1ATMEM97HTR7
SCHEMBL7589412 0.76 ABCB1 (0.34) HTR2BSIGMAR1HTR1ATMEM97HTR7
SCHEMBL5857401 0.75 HTR2B (0.33) HTR2BSIGMAR1HTR1ATMEM97HTR7
SCHEMBL5854576 0.71 L3MBTL1 (0.34) HTR2BSIGMAR1HTR1AABCB1
SCHEMBL5854274 0.71 L3MBTL1 (0.34) HTR2BSIGMAR1HTR1AABCB1
SCHEMBL7237388 0.70 ALDH1A1 (0.38) HTR2BSIGMAR1HTR1AMAPTCYP3A4
SCHEMBL5854236 0.70 PTPN1 (0.36) HTR2BSIGMAR1HTR1ATMEM97
SCHEMBL5856744 0.70 HTR2B (0.41) HTR2BSIGMAR1HTR1ATMEM97HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610733-B2 Antiestrogen, therapeutic agent for breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-26 US disclosed
US-20030125571-A1 Optically active chroman and thiochroman derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-07-03 US disclosed
US-6552069-B1 Having anti-estrogenic activity; for use in therapy CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-22 US disclosed
EP-1241165-A1 OPTICALLY ACTIVE CHROMAN AND THIOCHROMAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 EP disclosed
EP-1241166-A1 3-METHYL-CHROMAN AND -THIOCHROMAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 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 (1 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-20030125571-A1 Optically active chroman and thiochroman derivatives NR5A1, CYP19A1, SHBG HTR2B 1122/4885SIGMAR1 154/4885HTR1A 313/4885

“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.