SCHEMBL950259

SCHEMBL950259

CC(Cl)C(=O)OC(=O)C(C)Br

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.31

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
SCHEMBL952090 0.87 TSHR (0.38) ALDH1A1TSHR
SCHEMBL952339 0.87 SMN1; SMN2 (0.32) ALDH1A1TSHR
SCHEMBL4154811 0.76 TSHR (0.35) ALDH1A1TSHR
SCHEMBL953463 0.75 TSHR (0.31) TSHR
SCHEMBL5194168 0.75 GRIN2D (0.30)
SCHEMBL951508 0.75
SCHEMBL28622651 0.74 ALDH1A1 (0.36) ALDH1A1
SCHEMBL3148591 0.74
SCHEMBL28392656 0.74
SCHEMBL4154813 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210388002-A1 DIMETHOXYBENZENE COMPOUND ANALOGS, METHODS FOR ANALYZING SAID COMPOUNDS AND STANDARD PRODUCTS OF SAID COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-12-16 US disclosed
US-20210387990-A1 METHOD FOR PRODUCING DIMETHOXYBENZENE COMPOUND TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-12-16 US disclosed
EP-3882248-A1 DIMETHOXYBENZENE COMPOUND ANALOGS, METHODS FOR ANALYZING SAID COMPOUNDS AND STANDARD PRODUCTS OF SAID COMPOUNDS Taiho Pharmaceutical Co., Ltd. (JP) 2021-09-22 EP disclosed
CN-113260618-A Dimethoxybenzene compound analogue, method for analyzing compound and standard substance of compound 大鹏药品工业株式会社 2021-08-13 CN disclosed
US-20130030212-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2013-01-31 US disclosed
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2011-01-13 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 (5 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-20130030212-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A ALDH1A1 313/4885TSHR 2845/4885
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A ALDH1A1 313/4885TSHR 2845/4885
US-20210387990-A1 METHOD FOR PRODUCING DIMETHOXYBENZENE COMPOUND CYP1B1, PAH, CYP4B1 ALDH1A1 40/4885TSHR 4443/4885
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A ALDH1A1 313/4885TSHR 2845/4885
US-20210388002-A1 DIMETHOXYBENZENE COMPOUND ANALOGS, METHODS FOR ANALYZING SAID COMPOUNDS AND STANDARD PRODUCTS OF SAID COMPOUNDS DDC, PAH, DDT ALDH1A1 12/4885TSHR 4454/4885

“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.