SCHEMBL10049247

SCHEMBL10049247

BrCc1ccc(-c2cc(-c3ccc(CBr)cc3)cc(-c3ccc(CBr)cc3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HRH3 Q9Y5N1 6/20 0.41
▸ ESR1 P03372 2/20 0.41
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ ESR2 Q92731 1/20 0.37
▸ TAAR1 Q96RJ0 3/20 0.35
▸ CHKA P35790 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ CYP17A1 P05093 1/20 0.32
▸ CYP21A2 P08686 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ BCR P11274 1/20 0.32
▸ RXRA P19793 2/20 0.31
▸ RXRB P28702 2/20 0.31
▸ RXRG P48443 2/20 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
SCHEMBL679626 0.91 TSHR (0.56) TRPA1ALDH1A1TSHRHRH3ESR1
SCHEMBL9609757 0.91 TSHR (0.56) TRPA1ALDH1A1TSHRHRH3ESR1
Water SCHEMBL11481683 0.88 TSHR (0.53) TRPA1ALDH1A1TSHRHRH3ESR1
Methane SCHEMBL11480910 0.88 TSHR (0.53) TRPA1ALDH1A1TSHRHRH3ESR1
SCHEMBL8183488 0.83 CHKA (0.53) TRPA1ALDH1A1TSHRESR1ESR2
SCHEMBL31377005 0.82 ALDH1A1 (0.48) TRPA1ALDH1A1TSHRHRH3ESR1
SCHEMBL131361 0.80 ALDH1A1 (0.67) TRPA1ALDH1A1TSHRHRH3ESR1
SCHEMBL71123 0.80 ALDH1A1 (0.68) TRPA1ALDH1A1TSHRCES2CES1
SCHEMBL1374017 0.80 ALDH1A1 (0.68) TRPA1ALDH1A1TSHRCES2CES1
SCHEMBL3362246 0.80 ALDH1A1 (0.50) TRPA1ALDH1A1TSHRHRH3CES2

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
CN-119331226-A Synthesis method and application of polyazacyclo-carbene copper material 西北工业大学深圳研究院 2025-01-21 — — CN claimed
CN-119331226-A Synthesis method and application of polyazacyclo-carbene copper material 西北工业大学深圳研究院 2025-01-21 — — CN disclosed
US-20210070728-A1 MONOMERS COMPRISING AT LEAST ONE 4-(2-OXYETHYLIDENE)-1,3-DIOXOLAN-2-ONE UNIT AND USE THEREOF BASF SE (DE) 2021-03-11 — — US disclosed
EP-3569597-A1 MONOMERS COMPRISING AT LEAST ONE 4-(2-OXYETHYLIDENE)-1,3-DIOXOLAN-2-ONE UNIT AND USE THEREOF BASF SE (DE) 2019-11-20 — — EP disclosed
US-8865322-B2 Dendrimer and organic light-emitting device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-21 — — US disclosed
US-20120013247-A1 DENDRIMER AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-01-19 — — US disclosed
US-20120013247-A1 DENDRIMER AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-01-19 — — 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-20120013247-A1 DENDRIMER AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CLTB, CD40LG, DYNLL2 TRPA1 1107/4885ALDH1A1 768/4885TSHR 2558/4885
US-20210070728-A1 MONOMERS COMPRISING AT LEAST ONE 4-(2-OXYETHYLIDENE)-1,3-DIOXOLAN-2-ONE UNIT AND USE THEREOF OXER1, ALOX12, FASN TRPA1 1289/4885ALDH1A1 1087/4885TSHR 4599/4885

“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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