SCHEMBL12362494

SCHEMBL12362494

CCCC(=O)N(C)c1cccc(-c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.57
▸ HPGD P15428 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ LTB4R2 Q9NPC1 1/20 0.46
▸ HSD17B1 P14061 2/20 0.44
▸ HSD17B2 P37059 2/20 0.44
▸ AOC3 Q16853 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ F2R P25116 1/20 0.43

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
SCHEMBL3399855 0.85 TP53 (0.65) TP53HPGDMEN1KMT2AALDH1A1
SCHEMBL12362493 0.83 HSD17B1 (0.47) HSD17B1HSD17B2AOC3KMT2AALDH1A1
SCHEMBL23222221 0.81 ALDH1A1 (0.51) TP53SMN1; SMN2L3MBTL1HSD17B1HSD17B2
SCHEMBL14228940 0.81 TP53 (0.53) TP53HPGDSMN1; SMN2L3MBTL1LTB4R2
SCHEMBL21861794 0.80 HSD17B1 (0.45) HSD17B1HSD17B2AOC3KMT2AALDH1A1
SCHEMBL14230018 0.80 TP53 (0.68) TP53HPGDSMN1; SMN2LTB4R2MEN1
SCHEMBL14543508 0.80 TP53 (0.51) TP53HPGDSMN1; SMN2L3MBTL1LTB4R2
SCHEMBL15979067 0.79 HTR3E (0.53) TP53SMN1; SMN2LTB4R2HSD17B1HSD17B2
SCHEMBL28746511 0.79 TP53 (0.46) TP53MEN1KMT2AALDH1A1MAPK1
SCHEMBL28746573 0.79 LTB4R2 (0.47) TP53SMN1; SMN2LTB4R2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9475805-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-10-25 — — US disclosed
US-9475805-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-10-25 — — US disclosed
US-20150291587-A1 TRICYCLIC COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-10-15 — — US disclosed
US-20150291587-A1 TRICYCLIC COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-10-15 — — US disclosed
US-20130267711-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2013-10-10 — — US disclosed
US-20130267711-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2013-10-10 — — US disclosed
US-8486980-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-07-16 — — US disclosed
US-20110201640-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-18 — — US disclosed
EP-2327690-A1 TRICYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2011-06-01 — — EP 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 (3 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-20150291587-A1 TRICYCLIC COMPOUND PPARA, PPARG, PPARD TP53 1857/4885HPGD 1485/4885SMN1; SMN2 4657/4885
US-20130267711-A1 TRICYCLIC COMPOUND PPARA, PPARG, PPARD TP53 1857/4885HPGD 1485/4885SMN1; SMN2 4657/4885
US-20110201640-A1 TRICYCLIC COMPOUND PPARG, PPARA, PPARD TP53 1780/4885HPGD 1929/4885SMN1; SMN2 4807/4885

“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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