SCHEMBL17817040

SCHEMBL17817040

C/C=C1/CCC2C3CCc4cc(OC(C)=O)ccc4C3CC[C@]12C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
LMNA P02545 4/20 0.66
PGR P06401 2/20 0.66
AR P10275 2/20 0.66
OPRM1 P35372 2/20 0.66
SLC6A3 Q01959 2/20 0.66
ADORA3 P0DMS8 2/20 0.66
ATM Q13315 2/20 0.66
CHRM1 P11229 1/20 0.66
TBXA2R P21731 1/20 0.66
ADRA1A P35348 1/20 0.66
CYP3A4 P08684 4/20 0.63
MAPT P10636 4/20 0.63
TP53 P04637 1/20 0.63
STS P08842 6/20 0.58
ABCC4 O15439 1/20 0.58
CYP2C9 P11712 1/20 0.58
ABCC1 P33527 1/20 0.58
SLCO1B1 Q9Y6L6 1/20 0.58

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
SCHEMBL9643701 0.91 ESR1 (0.64) ESR1SMN1; SMN2LMNAPGRAR
SCHEMBL9642919 0.91 ESR1 (0.64) ESR1SMN1; SMN2LMNAPGRAR
SCHEMBL10414726 0.89 MAPT (0.65) ESR1SMN1; SMN2LMNAPGRAR
SCHEMBL1657075 0.88 ESR1 (0.64) ESR1SMN1; SMN2LMNAPGRAR
Estrone Acetate SCHEMBL603954 0.86 CYP3A4 (0.76) ESR1SMN1; SMN2LMNAPGRAR
SCHEMBL6899365 0.86 ESR1 (0.69) ESR1SMN1; SMN2LMNAPGRAR
Estrone Acetate SCHEMBL6241050 0.86 CYP3A4 (0.76) ESR1SMN1; SMN2LMNAPGRAR
SCHEMBL6899367 0.86 ESR1 (0.69) ESR1SMN1; SMN2LMNAPGRAR
Estrone Acetate SCHEMBL20006536 0.86 CYP3A4 (0.76) ESR1SMN1; SMN2LMNAPGRAR
SCHEMBL12473458 0.86 LMNA (0.72) ESR1SMN1; SMN2LMNAPGRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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 (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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 ESR1 1835/4885SMN1; SMN2 623/4885LMNA 2135/4885

“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.