SCHEMBL12134404

SCHEMBL12134404

CCC(COCC(O)COC(=O)c1ccccc1C(=O)c1ccccc1)(COCC(O)COC(=O)c1ccccc1C(=O)c1ccccc1)COCC(O)COC(=O)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
ADRB2 P07550 8/20 0.45
ADRB1 P08588 8/20 0.45
ADRB3 P13945 8/20 0.45
ALDH1A1 P00352 7/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ABCB1 P08183 2/20 0.43
CA2 P00918 1/20 0.40
LMNA P02545 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
SCHEMBL18100054 0.87 ADRB2 (0.58) ADRB2ADRB1ADRB3ALDH1A1LMNA
SCHEMBL12134400 0.81 ALDH1A1 (0.47) L3MBTL1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL2384167 0.79 CYP3A4 (0.52) L3MBTL1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL22361801 0.79 ALDH1A1 (0.59) L3MBTL1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL12134405 0.78 MEN1 (0.56) L3MBTL1ALDH1A1TSHRCYP3A4CYP1A2
SCHEMBL12576365 0.78 ALDH1A1 (0.47) L3MBTL1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL12134348 0.77 ALDH1A1 (0.60) L3MBTL1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL23818692 0.74 ADRB2 (0.41) L3MBTL1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL21567537 0.74 ALDH1A1 (0.77) L3MBTL1ALDH1A1TSHRCYP3A4CYP1A2
SCHEMBL21903972 0.74 ABCB1 (0.46) L3MBTL1ADRB2ADRB1ADRB3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288580-B2 Benzophenone compound Double Bond Chemical Ind. Co., Ltd. (TW) 2012-10-16 US disclosed
US-8288580-B2 Benzophenone compound Double Bond Chemical Ind. Co., Ltd. (TW) 2012-10-16 US disclosed
US-20110282091-A1 BENZOPHENONE COMPOUND Double Bond Chemical Ind. Co., Ltd. (TW) 2011-11-17 US disclosed
US-20110282091-A1 BENZOPHENONE COMPOUND Double Bond Chemical Ind. Co., Ltd. (TW) 2011-11-17 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 (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-20110282091-A1 BENZOPHENONE COMPOUND NPM1, NR0B1, NR4A1 L3MBTL1 1954/4885ADRB2 856/4885ADRB1 554/4885

“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.