SCHEMBL17817547

SCHEMBL17817547

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CCC4C[C@@H](NC(=O)CCOCCOCCOCCN)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CDC25A P30304 3/20 0.56
▸ POLA1 P09884 1/20 0.56
▸ INPP5D Q92835 1/20 0.56
▸ HIF1A Q16665 3/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ FOLH1 Q04609 2/20 0.52
▸ GPBAR1 Q8TDU6 3/20 0.51
▸ VDR P11473 2/20 0.51
▸ USP2 O75604 2/20 0.51
▸ CASP7 P55210 3/20 0.49
▸ TP53 P04637 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ BLM P54132 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ MDM4 O15151 1/20 0.49
▸ MAPT P10636 1/20 0.49

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
SCHEMBL7997756 0.91 CYP2C19 (0.63) CYP2C19CYP2D6CDC25APOLA1INPP5D
SCHEMBL7997759 0.91 CYP2C19 (0.63) CYP2C19CYP2D6CDC25APOLA1INPP5D
SCHEMBL17817066 0.87 CYP2C19 (0.66) CYP2C19CYP2D6CDC25APOLA1INPP5D
Hydrochloric Acid SCHEMBL8003237 0.86 INPP5D (0.66) CYP2C19CYP2D6CDC25APOLA1INPP5D
Hydrochloric Acid SCHEMBL8003235 0.86 INPP5D (0.66) CYP2C19CYP2D6CDC25APOLA1INPP5D
SCHEMBL17817283 0.86 CDC25A (0.65) CYP2C19CYP2D6CDC25APOLA1INPP5D
SCHEMBL18541412 0.83 BCHE (0.68) CYP2C19CYP2D6CDC25APOLA1INPP5D
SCHEMBL9580404 0.83 BCHE (0.68) CYP2C19CYP2D6CDC25APOLA1INPP5D
SCHEMBL18541463 0.83 BCHE (0.68) CYP2C19CYP2D6CDC25APOLA1INPP5D
SCHEMBL21206235 0.83 BCHE (0.68) CYP2C19CYP2D6CDC25APOLA1INPP5D

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 CYP2C19 4800/4885CYP2D6 4407/4885CDC25A 3750/4885

“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.

Send feedback