SCHEMBL18583115

SCHEMBL18583115

Bc1cc(C(C)(C)O)nc2ccc(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ TNKS2 Q9H2K2 1/20 0.44
▸ FABP3 P05413 1/20 0.39
▸ FABP4 P15090 1/20 0.39
▸ MPO P05164 1/20 0.38
▸ NPFFR1 Q9GZQ6 1/20 0.38
▸ NPFFR2 Q9Y5X5 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HTR3A P46098 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ PTGES O14684 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL26167592 0.73 HTR3A (0.43) TNKSPARP1TNKS2ALDH1A1HTR3A
SCHEMBL20888978 0.72 TNKS (0.44) TNKSPARP1TNKS2FABP3FABP4
SCHEMBL18554706 0.70 TNKS (0.36) TNKSPARP1TNKS2NPFFR1NPFFR2
SCHEMBL31228686 0.70 TNKS (0.36) TNKSPARP1TNKS2NPFFR1NPFFR2
SCHEMBL10018550 0.68 DHODH (0.60) FABP3FABP4ALDH1A1PTGESALOX5
SCHEMBL9494551 0.66 PTGES (0.42) FABP3FABP4ALDH1A1GAAPTGES
SCHEMBL2709700 0.65 NT5E (0.70) ALDH1A1GAAHPGDHSD17B10DHODH
SCHEMBL9493144 0.65 NT5E (0.51) PARP1ALDH1A1PTGESALOX5CYP2C9
SCHEMBL30492143 0.65 NT5E (0.70) ALDH1A1GAAHPGDHSD17B10DHODH
SCHEMBL11828378 0.65 NT5E (0.51) ALDH1A1GAAPTGESALOX5CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400106-A1 DEUTERATED COMPOUNDS AND USES THEREOF Aldeyra Therapeutics, Inc. (US) 2024-07-17 — — EP disclosed
US-20230174491-A1 DEUTERATED COMPOUNDS AND USES THEREOF ALDEYRA THERAPEUTICS, INC. 2023-06-08 — — US disclosed
US-20210347735-A1 DEUTERATED COMPOUNDS AND USES THEREOF ALDEYRA THERAPEUTICS, INC. 2021-11-11 — — US disclosed
US-11046650-B2 Deuterated compounds and uses thereof ALDEYRA THERAPEUTICS, INC. (US) 2021-06-29 — — US disclosed
US-20200199075-A1 DEUTERATED COMPOUNDS AND USES THEREOF ALDEYRA THERAPEUTICS, INC. 2020-06-25 — — US disclosed
US-10550085-B2 Deuterated compounds and uses thereof ALDEYRA THERAPEUTICS, INC. (US) 2020-02-04 — — US disclosed
WO-2017035077-A1 DEUTERATED COMPOUNDS AND USES THEREOF ALDEYRA THERAPEUTICS, INC. (US) 2017-03-02 — — WO 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 (5 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-20210347735-A1 DEUTERATED COMPOUNDS AND USES THEREOF ALDH1A2, SSB, DBH TNKS 3071/4885PARP1 736/4885TNKS2 3729/4885
US-10550085-B2 Deuterated compounds and uses thereof ALDH1A2, SSB, DBH TNKS 3071/4885PARP1 736/4885TNKS2 3729/4885
US-20200199075-A1 DEUTERATED COMPOUNDS AND USES THEREOF ALDH1A2, SSB, DBH TNKS 3071/4885PARP1 736/4885TNKS2 3729/4885
US-20230174491-A1 DEUTERATED COMPOUNDS AND USES THEREOF ALDH1A2, SSB, DBH TNKS 3071/4885PARP1 736/4885TNKS2 3729/4885
US-11046650-B2 Deuterated compounds and uses thereof ALDH1A2, SSB, DBH TNKS 3071/4885PARP1 736/4885TNKS2 3729/4885

“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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