SCHEMBL17817385

SCHEMBL17817385

CCCCCC[C@H]1CCC2C3CCc4cc(O)ccc4C3CC[C@@]21C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 10/20 0.67
ESR1 P03372 6/20 0.67
LMNA P02545 4/20 0.67
KMT2A Q03164 4/20 0.67
MAPT P10636 4/20 0.67
ESR2 Q92731 4/20 0.67
HSD17B10 Q99714 3/20 0.67
MEN1 O00255 3/20 0.67
CYP3A4 P08684 3/20 0.67
TSHR P16473 2/20 0.67
PGR P06401 2/20 0.67
AR P10275 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
HIF1A Q16665 1/20 0.67
SLC22A1 O15245 1/20 0.67
AKR1B10 O60218 1/20 0.67
SLC22A3 O75751 1/20 0.67

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
SCHEMBL11788270 1.00 STS (0.67) STSESR1LMNAKMT2AMAPT
SCHEMBL11780732 1.00 STS (0.67) STSESR1LMNAKMT2AMAPT
SCHEMBL11783196 0.99 STS (0.69) STSESR1LMNAKMT2AMAPT
SCHEMBL5158101 0.96 ESR1 (0.70) STSESR1LMNAKMT2AMAPT
SCHEMBL5157957 0.91 ESR1 (0.69) STSESR1LMNAKMT2AMAPT
SCHEMBL11239527 0.87 LMNA (0.66) STSESR1LMNAKMT2AMAPT
SCHEMBL13345142 0.87 ESR1 (0.72) STSESR1LMNAKMT2AMAPT
SCHEMBL14395341 0.87 ESR1 (0.72) STSESR1LMNAKMT2AMAPT
SCHEMBL5158676 0.87 ESR1 (0.72) STSESR1LMNAKMT2AMAPT
SCHEMBL7191265 0.84 LMNA (0.72) STSESR1LMNAKMT2AMAPT

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 STS 383/4885ESR1 1835/4885LMNA 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.