SCHEMBL18540386

SCHEMBL18540386

CC(C)(O)C(C)(C)OBc1cccc(Oc2cccc(BOC(C)(C)C(C)(C)O)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NLRP1 Q9C000 1/20 0.32
▸ NOD2 Q9HC29 1/20 0.32
▸ PTGS1 P23219 1/20 0.31
▸ FURIN P09958 2/20 0.31
▸ F2 P00734 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ MAOB P27338 1/20 0.31

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
SCHEMBL24232767 0.91 LMNA (0.39) POLBCYP2C9MEN1KMT2AF10
SCHEMBL20962289 0.88 — —
SCHEMBL21118677 0.84 LIPG (0.36) —
SCHEMBL27354367 0.81 ACHE (0.37) ALDH1A1MEN1KMT2ALMNA
SCHEMBL21125143 0.80 HDAC8 (0.39) CYP2C9ALDH1A1SMN1; SMN2MEN1GAA
SCHEMBL25061707 0.80 LTA4H (0.41) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL12831961 0.80 CYP3A4 (0.35) ALDH1A1F2MAOBTDP1
SCHEMBL18540384 0.79 — —
SCHEMBL19120255 0.79 MGLL (0.33) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL20366981 0.78 ALDH1A1 (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170054095-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2017-02-23 — — US disclosed
US-20170054095-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2017-02-23 — — 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-20170054095-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, LEF1, POU2F1 NPC1 3068/4885POLB 3041/4885CYP2C9 253/4885

“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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