SCHEMBL17807541

SCHEMBL17807541

c1ccc(OP(Oc2ccccc2)Oc2cccc(-c3ccccc3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ SOD1 P00441 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ GGPS1 O95749 1/20 0.39
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2E1 P05181 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C8 P10632 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP4B1 P13584 1/20 0.39
▸ CYP2B6 P20813 1/20 0.39
▸ CYP3A5 P20815 1/20 0.39
▸ CYP2A7 P20853 1/20 0.39
▸ CYP3A7 P24462 1/20 0.39

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
SCHEMBL3130112 0.98 MAOA (0.43) MAOALTA4HBACE1SOD1ALDH1A1
SCHEMBL1984268 0.86 LTA4H (0.41) LTA4HALDH1A1
SCHEMBL17807563 0.84 ALDH1A1 (0.45) LTA4HALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3124667 0.82 ALDH1A1 (0.43) MAOASOD1ALDH1A1GGPS1CYP1A1
SCHEMBL3124024 0.81 ALDH1A1 (0.47) LTA4HALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL19159537 0.81 LTA4H (0.41) MAOALTA4HALDH1A1CYP1A2CYP3A4
SCHEMBL20702317 0.81 ALOX5 (0.43) MAOALTA4HMRGPRX4GGPS1RXRA
SCHEMBL28017927 0.81 LTA4H (0.50) MAOALTA4HALDH1A1CYP3A4
SCHEMBL13289 0.81 LTA4H (0.50) MAOALTA4HALDH1A1CYP3A4
SCHEMBL24159348 0.80 CYP3A4 (0.41) GGPS1CYP3A4RXRARXRB

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-20160159837-A1 MONOPHOSPHITES COMPRISING A BENZOPINACOL EVONIK DEGUSSA GMBH (DE) 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-20160159837-A1 MONOPHOSPHITES COMPRISING A BENZOPINACOL RBBP4, RRS1, RTF1 MAOA 731/4885LTA4H 2092/4885BACE1 4630/4885

“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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