SCHEMBL4920144

SCHEMBL4920144

O=c1ccoc2c3c(ccc12)OCC=C3

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.54
CYP1B1 Q16678 7/20 0.54
CYP1A1 P04798 7/20 0.54
CYP2B6 P20813 2/20 0.39
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
FTO Q9C0B1 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MTNR1A P48039 2/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
MTNR1B P49286 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL5940642 0.80 CYP1A2 (0.54) CYP1A2CYP1B1CYP1A1CYP2B6ALDH1A1
SCHEMBL9391887 0.77 CYP1A2 (0.43) CYP1A2CYP1B1CYP1A1CYP2B6MAOA
SCHEMBL30903608 0.73 CYP1A1 (0.32) CYP1A2CYP1B1CYP1A1MEN1ALDH1A1
SCHEMBL28571525 0.73 CYP1A1 (0.32) CYP1A2CYP1B1CYP1A1MEN1ALDH1A1
SCHEMBL30609580 0.72 BCHE (0.51) MEN1ALDH1A1LMNAHPGDKMT2A
SCHEMBL31671405 0.71 CYP1A2 (0.62) CYP1A2CYP1B1CYP1A1MEN1ALDH1A1
SCHEMBL9101318 0.70 CYP1A2 (0.40) CYP1A2CYP1B1CYP1A1CYP2B6FTO
SCHEMBL29718982 0.69 CYP1B1 (0.51) CYP1A2CYP1B1CYP1A1MEN1ALDH1A1
SCHEMBL12608777 0.69 CYP1A2 (0.57) CYP1A2CYP1B1CYP1A1CYP2B6ALDH1A1
SCHEMBL7784100 0.68 CYP1A2 (0.40) CYP1A2CYP1B1CYP1A1CYP2B6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115286606-B Gastrodia elata flavonoid compound and preparation method and application thereof 中国科学院昆明植物研究所 2023-09-29 CN disclosed
CN-115286606-A Gastrodia elata flavonoid compound and preparation method and application thereof 中国科学院昆明植物研究所 2022-11-04 CN disclosed
CN-107903291-B Chromone glycoside compound extracted from divaricate saposhnikovia root and method and application thereof 成都普思生物科技股份有限公司 2020-05-22 CN disclosed
EP-2871187-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2017-09-20 EP disclosed
US-20080287527-A1 Pharmaceuticals for treating or preventing oral diseases HAWLEY & HAZEL (BVI) COMPANY LIMITED (VG) 2008-11-20 US disclosed
US-20080287374-A1 BREAST CANCER-RESISTANT PROTEIN INHIBITOR KABUSHIKI KAISHA YAKULT HONSHA (JP) 2008-11-20 US disclosed
US-20060135445-A1 Breast cancer-resistant protein inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2006-06-22 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-20060135445-A1 Breast cancer-resistant protein inhibitor ABCC1, BCR, BRCA1 CYP1A2 1372/4885CYP1B1 815/4885CYP1A1 1407/4885
US-20080287374-A1 BREAST CANCER-RESISTANT PROTEIN INHIBITOR ABCC1, BCR, BRCA1 CYP1A2 1372/4885CYP1B1 815/4885CYP1A1 1407/4885
US-20080287527-A1 Pharmaceuticals for treating or preventing oral diseases HPN, HPSE, HMOX1 CYP1A2 526/4885CYP1B1 1215/4885CYP1A1 793/4885

“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.