SCHEMBL10932269

SCHEMBL10932269

CCCCOc1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ TSHR P16473 2/20 0.60
▸ TP53 P04637 1/20 0.60
▸ PLA2G4B P0C869 2/20 0.58
▸ THRA P10827 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ TBXAS1 P24557 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ RARB P10826 3/20 0.55

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
SCHEMBL7637707 0.97 TP53 (0.66) ALDH1A1HPGDSMN1; SMN2TSHRTP53
SCHEMBL15535898 0.91 THRA (0.63) ALDH1A1HPGDSMN1; SMN2TSHRTP53
SCHEMBL10460818 0.88 ALDH1A1 (0.59) ALDH1A1HPGDSMN1; SMN2TBXAS1L3MBTL1
SCHEMBL578734 0.86 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2TBXAS1L3MBTL1
SCHEMBL9388919 0.85 ALDH1A1 (0.66) ALDH1A1HPGDSMN1; SMN2PLA2G4B
SCHEMBL13221522 0.85 TSHR (0.55) TSHRTP53PLA2G4BTHRATHRB
SCHEMBL10754241 0.84 ALDH1A1 (0.59) ALDH1A1HPGDSMN1; SMN2TBXAS1L3MBTL1
Hydrochloric Acid SCHEMBL12503056 0.83 ALDH1A1 (0.58) ALDH1A1HPGDSMN1; SMN2TBXAS1L3MBTL1
SCHEMBL31384473 0.83 TSHR (0.57) ALDH1A1HPGDSMN1; SMN2TSHRTP53
SCHEMBL6539277 0.82 TP53 (0.60) TSHRTP53PLA2G4BTHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417140-B1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INT (DE) 2014-11-26 — — EP disclosed
US-8349839-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 — — US disclosed
WO-2010115264-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 — — WO disclosed
US-20100261714-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 — — US disclosed
EP-0041711-B1 6-CHLORO- OR 6-BROMO-1,2-DIHYDRO-3H-PYRROLO(1,2-A)-PYRROLE-1-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1985-04-17 — — EP disclosed
US-4410534-A 3-Substituted-5,6,7,8-tetrahydropyrrolo[1,2-a]-pyridine-and 6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]-azepine carboxylic acid derivatives useful as blood platelet aggregation inhibitors SYNTEX (U.S.A.) INC. (US) 1983-10-18 — — US disclosed
US-4344943-A ANALGESICS, ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1982-08-17 — — US disclosed
EP-0041711-A1 6-Chloro- or 6-bromo-1,2-dihydro-3H-pyrrolo(1,2-a)-pyrrole-1-carboxylic acids and derivatives thereof, process for their production and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1981-12-16 — — 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 (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-20100261714-A1 INHIBITORS OF HIV REPLICATION RTF2, POLR1A, REV1 ALDH1A1 1624/4885HPGD 2245/4885SMN1; SMN2 4527/4885

“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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