SCHEMBL17817647

SCHEMBL17817647

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@@H](CC(N)=O)[C@](C)(CCO)C3CC[C@@]21C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 4/20 0.59
▸ FNTB P49356 4/20 0.59
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ INPP5D Q92835 1/20 0.52
▸ CDC25A P30304 6/20 0.51
▸ POLA1 P09884 1/20 0.51
▸ SRD5A1 P18405 4/20 0.50
▸ SRD5A2 P31213 3/20 0.50
▸ NPC1L1 Q9UHC9 3/20 0.48
▸ USP2 O75604 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CDC45 O75419 1/20 0.46
▸ PTPRC P08575 1/20 0.46

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
SCHEMBL24104660 0.91 FNTA (0.66) FNTAFNTBCYP2D6CYP2C19INPP5D
SCHEMBL17817290 0.91 FNTA (0.66) FNTAFNTBCYP2D6CYP2C19INPP5D
SCHEMBL13153840 0.87 FNTA (0.59) FNTAFNTBCYP2D6CYP2C19INPP5D
SCHEMBL24104661 0.85 FNTA (0.57) FNTAFNTBCYP2D6CYP2C19INPP5D
SCHEMBL17817648 0.85 FNTA (0.57) FNTAFNTBCYP2D6CYP2C19INPP5D
SCHEMBL29358993 0.83 FNTA (0.61) FNTAFNTBCYP2D6CYP2C19INPP5D
SCHEMBL8417553 0.82 FNTA (0.66) FNTAFNTBCYP2D6CYP2C19INPP5D
SCHEMBL17817291 0.80 FNTA (0.64) FNTAFNTBCYP2D6CYP2C19INPP5D
SCHEMBL17817641 0.80 FNTA (0.56) FNTAFNTBCYP2D6CYP2C19INPP5D
SCHEMBL25382848 0.79 CYP2D6 (0.56) FNTAFNTBCYP2D6CYP2C19INPP5D

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 FNTA 2403/4885FNTB 2679/4885CYP2D6 4407/4885

“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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