SCHEMBL17817283

SCHEMBL17817283

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 2/20 0.65
▸ POLA1 P09884 1/20 0.65
▸ GPBAR1 Q8TDU6 4/20 0.61
▸ CASP7 P55210 3/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ TDP1 Q9NUW8 3/20 0.61
▸ EPHA2 P29317 3/20 0.61
▸ TP53 P04637 2/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ BLM P54132 2/20 0.61
▸ VDR P11473 2/20 0.61
▸ AKR1B10 O60218 2/20 0.61
▸ AKR1B1 P15121 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ MDM4 O15151 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ HSPD1 P10809 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ PTPN2 P17706 1/20 0.61

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) CDC25APOLA1GPBAR1CASP7HSD17B10
SCHEMBL7997759 0.91 CYP2C19 (0.63) CDC25APOLA1GPBAR1CASP7HSD17B10
SCHEMBL22855456 0.90 VDR (0.70) GPBAR1CASP7HSD17B10TDP1EPHA2
SCHEMBL17817066 0.89 CYP2C19 (0.66) CDC25APOLA1GPBAR1CASP7HSD17B10
Hydrochloric Acid SCHEMBL8003235 0.88 INPP5D (0.66) CDC25APOLA1GPBAR1CASP7HSD17B10
Hydrochloric Acid SCHEMBL8003237 0.88 INPP5D (0.66) CDC25APOLA1GPBAR1CASP7HSD17B10
SCHEMBL9580404 0.88 BCHE (0.68) CDC25APOLA1GPBAR1CASP7HSD17B10
SCHEMBL12279967 0.88 BCHE (0.68) CDC25APOLA1GPBAR1CASP7HSD17B10
SCHEMBL21206235 0.88 BCHE (0.68) CDC25APOLA1GPBAR1CASP7HSD17B10
SCHEMBL18541463 0.88 BCHE (0.68) CDC25APOLA1GPBAR1CASP7HSD17B10

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 CDC25A 3750/4885POLA1 3737/4885GPBAR1 757/4885

“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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