SCHEMBL24205697

SCHEMBL24205697

CC(C)(C)CC(C)(C)c1cc(/N=N/c2ccccc2N)c(O)c(C(C)(C)c2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP1A2 P05177 1/20 0.34
▸ SHBG P04278 1/20 0.33
▸ IDH1 O75874 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ESR2 Q92731 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
SCHEMBL22080484 0.88 SHBG (0.33) GAAL3MBTL1SHBGALDH1A1ESR1
SCHEMBL22080824 0.87 IDH1 (0.33) IDH1
SCHEMBL27375601 0.82 SHBG (0.40) GAACYP1A2SHBGIDH1ALDH1A1
SCHEMBL22080754 0.82 SHBG (0.37) CYP1A2SHBGIDH1ALDH1A1ESR1
SCHEMBL5185716 0.81 CES2 (0.39) NPC1RAB9ACYP1A2
SCHEMBL5185713 0.81 CES2 (0.39) NPC1RAB9ACYP1A2
SCHEMBL29809621 0.81 CES2 (0.39) NPC1RAB9ACYP1A2
SCHEMBL28041166 0.81 SHBG (0.46) GAACYP1A2SHBGIDH1ALDH1A1
SCHEMBL22080487 0.80 NOS3 (0.31) CYP3A4
SCHEMBL5185548 0.79 MEN1 (0.40) GAASHBGALDH1A1ESR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017527-A1 NOVEL PROCEDURE FOR THE FORMATION OF 2H-BENZOTRIAZOLE BODIES AND CONGENERS BASF SE (DE) 2022-01-20 — — 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-20220017527-A1 NOVEL PROCEDURE FOR THE FORMATION OF 2H-BENZOTRIAZOLE BODIES AND CONGENERS GABBR1, GABBR2, SULT2A1 NPC1 2446/4885GAA 1558/4885RAB9A 4723/4885

“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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