SCHEMBL20225083

SCHEMBL20225083

C[C@H]1COc2c1cc1c(c2O)C[C@@]2(O)CCCC(C)(C)[C@@H]2CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 10/20 0.37
▸ GGPS1 O95749 2/20 0.37
▸ CYP19A1 P11511 1/20 0.34
▸ BCL9 O00512 3/20 0.34
▸ CTNNB1 P35222 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ USP2 O75604 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PTGES O14684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PNLIP P16233 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ GSTO1 P78417 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL29713175 0.75 FDPS (0.57) FDPSGGPS1CYP19A1BCL9CTNNB1
SCHEMBL29931194 0.70 FDPS (0.50) FDPSGGPS1CYP19A1BCL9CTNNB1
SCHEMBL25205176 0.59 — —
SCHEMBL23674522 0.56 NLRP3 (0.39) ALDH1A1
SCHEMBL15647555 0.56 ALDH1A1 (0.40) CYP19A1ALDH1A1CYP3A4MAPTMEN1
SCHEMBL32659910 0.54 FDPS (0.70) FDPSGGPS1CYP19A1BCL9CTNNB1
SCHEMBL6282209 0.54 SOD1 (0.66) CYP19A1CYP3A4MAPTUSP2MEN1
SCHEMBL10101144 0.52 ENTPD5 (0.43) CYP19A1ALDH1A1CYP3A4MAPTUSP2
SCHEMBL25200136 0.52 DRD2 (0.33) ALDH1A1MAPT
Sempervirol SCHEMBL10524413 0.51 KARS1 (0.66) FDPSGGPS1CYP19A1BCL9CTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10758579-B2 Systems and methods for extraction of natural products METAGREEN VENTURES (US) 2020-09-01 — — US disclosed
WO-2018106973-A1 SYSTEMS AND METHODS FOR EXTRACTION OF NATURAL PRODUCTS MURPHY RANDALL B (US) 2018-06-14 — — WO disclosed
US-20180153948-A1 SYSTEMS AND METHODS FOR EXTRACTION OF NATURAL PRODUCTS METAGREEN VENTURES 2018-06-07 — — US disclosed
US-20180153948-A1 SYSTEMS AND METHODS FOR EXTRACTION OF NATURAL PRODUCTS METAGREEN VENTURES 2018-06-07 — — 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 (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-20180153948-A1 SYSTEMS AND METHODS FOR EXTRACTION OF NATURAL PRODUCTS LSS, HPSE, GUSB FDPS 7/4885GGPS1 35/4885CYP19A1 1291/4885
US-10758579-B2 Systems and methods for extraction of natural products LSS, HPSE, GUSB FDPS 7/4885GGPS1 35/4885CYP19A1 1291/4885

“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.

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