SCHEMBL5112413

SCHEMBL5112413

CCC(=O)c1ccc2c(c1)CCc1c(O)cc(O)cc1O2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.45
▸ CYP3A4 P08684 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.36
▸ CTNNB1 P35222 6/20 0.36
▸ WNT3A P56704 6/20 0.36
▸ TAS1R3 Q7RTX0 2/20 0.34
▸ TAS1R1 Q7RTX1 2/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL14098242 0.90 HPGD (0.47) ATMMEN1KMT2AHPGDALDH1A1
SCHEMBL14098246 0.88 HSD17B3 (0.45) HPGDALDH1A1HTTCTNNB1WNT3A
SCHEMBL7117535 0.86 HSD17B1 (0.41) CYP3A4MEN1KMT2AHPGDHTT
SCHEMBL14098262 0.81 RAB9A (0.44) ATMMEN1PTGS1KMT2AALDH1A1
SCHEMBL14098250 0.77 SRD5A2 (0.40) KMT2AHPGDALDH1A1HTTHSP90AB1
SCHEMBL7116087 0.77 SMN1; SMN2 (0.42) CYP3A4MEN1PTGS1KMT2AALDH1A1
SCHEMBL7115337 0.76 AKR1B1 (0.47) MEN1KMT2AHPGDALDH1A1HTT
SCHEMBL7114546 0.75 PTGS2 (0.33) CYP3A4MEN1PTGS1KMT2AHPGD
SCHEMBL7110769 0.75 MEN1 (0.39) ATMCYP3A4MEN1PTGS1DRD3
SCHEMBL14098200 0.75 GAA (0.40) MEN1KMT2AHPGDALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410997-B2 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SULSAN KAISHA, LTD. (JP) 2008-08-12 — — US disclosed
US-7410997-B2 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SULSAN KAISHA, LTD. (JP) 2008-08-12 — — US disclosed
US-7410997-B2 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SULSAN KAISHA, LTD. (JP) 2008-08-12 — — US disclosed
EP-1182200-B1 TRICYCLIC FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR PREPARING THE SAME AND USE THEREOF NIPPON SUISAN KAISHA LTD (JP) 2005-08-31 — — EP disclosed
US-20040127713-A1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SUISAN KAISHA, LTD. 2004-07-01 — — US disclosed
US-6700013-B2 O-BROMOPHENYLACETIC ACID DERIVATIVE CHEMICAL INTERMEDIATE; SMOOTH MUSCLE RELAXANTS, ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS NIPPON SUISAN KAISHA, LTD. (JP) 2004-03-02 — — US disclosed
US-20030220360-A1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SUISAN KAISHA, LTD., A JAPAN CORPORATION 2003-11-27 — — US disclosed
US-6602898-B1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SUISAN KAISHA, LTD. (JP) 2003-08-05 — — US disclosed
EP-1182200-A9 TRICYCLIC FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR PREPARING THE SAME AND USE THEREOF Nippon Suisan Kaisha, Ltd. (JP) 2002-05-22 — — EP disclosed
EP-1182200-A1 TRICYCLIC FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR PREPARING THE SAME AND USE THEREOF Nippon Suisan Kaisha, Ltd. (JP) 2002-02-27 — — 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 (2 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-20030220360-A1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof HRH2, HRH1, HRH4 ATM 2835/4885CYP3A4 123/4885MEN1 4301/4885
US-20040127713-A1 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof HRH2, HRH1, HRH4 ATM 2835/4885CYP3A4 123/4885MEN1 4301/4885

“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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