SCHEMBL5319015

SCHEMBL5319015

O=C(O)C(Br)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
LDHA P00338 1/20 0.45
PPARG P37231 15/20 0.44
PPARA Q07869 13/20 0.44
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ALOX15 P16050 1/20 0.40

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
SCHEMBL4580738 0.83 PARP10 (0.42) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL10738521 0.83 MTNR1A (0.47) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL28840586 0.82 PPARG (0.57) CYP1A2PPARGPPARACES2CES1
SCHEMBL5533536 0.81 PPARG (0.51) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL8955004 0.81 TDP1 (0.45) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL5532010 0.81 PPARG (0.54) LDHAPPARGPPARA
SCHEMBL9460207 0.79 KMT2A (0.50) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL947767 0.79 LTA4H (0.38) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL11300616 0.78 L3MBTL1 (0.41) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL5698537 0.78 CTSD (0.48) GAAMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118703564-A Carrier and application thereof in improving production efficiency of momordica grosvenori fruits 上海吉罗恩生物科技有限公司 2024-09-27 CN claimed
CN-102809559-B Method for detecting halogenated aromatic organic matter RES CT ECO ENVIRONMENTAL SCIEN 2015-06-17 CN claimed
CN-118703564-A Carrier and application thereof in improving production efficiency of momordica grosvenori fruits 上海吉罗恩生物科技有限公司 2024-09-27 CN disclosed
CN-111374126-A Pesticide polymer synergist and application thereof in glyphosate preparation 汕头市大千高新科技研究中心有限公司 2020-07-07 CN disclosed
CN-102809559-B Method for detecting halogenated aromatic organic matter RES CT ECO ENVIRONMENTAL SCIEN 2015-06-17 CN disclosed
WO-2007119984-A1 SALICYLIC ACID DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THEM NEUROTECH CO., LTD. (KR) 2007-10-25 WO disclosed
US-7015247-B2 Ibuprofen-aspirin, hydroxymethylacylfulvene analogs and L-sugar illudin analogs GUTTAG ALVIN 2006-03-21 US disclosed
US-20030008833-A1 Ibuprofen-aspirin, hydroxymethylacylfulvene analogs and L-sugar illudin analogs GUTTAG ALVIN (US) 2003-01-09 US disclosed
US-6436916-B1 PHENOLIC ESTERS OF IBUPROFEN WITH SALICYLIC ACID OR ITS NONTOXIC SALTS USED AS ANTITUMOR AGENT GUTTAG ALVIN (US) 2002-08-20 US disclosed
US-20020065254-A1 Ibuprofen-aspirin and hydroxymethylacylfulvene analogs GUTTAG ALVIN (US) 2002-05-30 US disclosed
US-4051170-A Diphenoxyacetic acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 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 (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-20020065254-A1 Ibuprofen-aspirin and hydroxymethylacylfulvene analogs PTGES3, HPGDS, PTGES CYP1A2 945/4885GAA 4492/4885CYP2C9 233/4885
US-20030008833-A1 Ibuprofen-aspirin, hydroxymethylacylfulvene analogs and L-sugar illudin analogs GALE, TPT1, HPSE CYP1A2 3444/4885GAA 3216/4885CYP2C9 2082/4885

“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.