SCHEMBL14130869

SCHEMBL14130869

CC(F)Oc1ccc(C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NR1H4 Q96RI1 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ TYR P14679 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ APP P05067 1/20 0.38

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
SCHEMBL9512653 0.87 HPGD (0.39) MAPTALDH1A1HPGDNR1H4TSHR
SCHEMBL8254927 0.84 TP53 (0.49) MAPTALDH1A1MAPK1NPC1HPGD
SCHEMBL799946 0.82 NR1H4 (0.57) MAPTALDH1A1MAPK1NPC1HPGD
SCHEMBL23067911 0.78 MAPT (0.50) MAPTALDH1A1MAPK1NPC1HPGD
SCHEMBL2546366 0.78 NR1H4 (0.46) MAPTALDH1A1MAPK1NPC1HPGD
SCHEMBL14227022 0.78 MAPT (0.45) MAPTALDH1A1MAPK1NPC1HPGD
SCHEMBL13283362 0.77 NR1H4 (0.53) MAPTALDH1A1MAPK1NPC1HPGD
SCHEMBL17404857 0.77 PTPN5 (0.56) MAPTALDH1A1MAPK1NPC1HPGD
SCHEMBL19240345 0.76 ACHE (0.49) TRPV1LMNAL3MBTL1PTPN5
SCHEMBL18287880 0.76 MAPT (0.47) MAPTALDH1A1MAPK1NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 — — US disclosed
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 — — US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 — — US disclosed
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 — — US disclosed
US-7402674-B2 7-Phenylamino-4-quinolone-3-carboxylic acid derivatives, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH, (DE) 2008-07-22 — — 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 (4 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-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 MAPT 2472/4885ALDH1A1 3813/4885MAPK1 2076/4885
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES JAK3, JAK1, JAK2 MAPT 4218/4885ALDH1A1 2349/4885MAPK1 115/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP MAPT 2572/4885ALDH1A1 3857/4885MAPK1 1986/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP MAPT 2516/4885ALDH1A1 312/4885MAPK1 4389/4885

“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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