SCHEMBL700219

SCHEMBL700219

COc1c(Br)cc([N+](=O)[O-])c(C)c1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 1/20 0.50
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 4/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
POLB P06746 1/20 0.40
TPMT P51580 1/20 0.40
IMPDH2 P12268 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.38

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
SCHEMBL29369262 1.00 CYP1A2 (0.56) CYP1A2ALDH1A1TDP1TSHRGRIN2D
SCHEMBL6816267 0.86 GRIN2D (0.49) CYP1A2ALDH1A1TDP1TSHRGRIN2D
SCHEMBL29156239 0.83 CYP1A2 (0.53) CYP1A2ALDH1A1TDP1TSHRGRIN2D
SCHEMBL29474148 0.83 CYP1A2 (0.53) CYP1A2ALDH1A1TDP1TSHRGRIN2D
SCHEMBL6814356 0.81 GPR35 (0.46) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17378984 0.81 ALDH1A1 (0.73) CYP1A2ALDH1A1TDP1TSHRGRIN2D
SCHEMBL19931897 0.81 TDP1 (0.47) CYP1A2ALDH1A1TDP1TSHRGRIN2D
SCHEMBL30771104 0.79 GRIN2D (0.43) CYP1A2ALDH1A1TDP1TSHRGRIN2D
SCHEMBL30771217 0.79 MAPT (0.44) CYP1A2ALDH1A1TDP1TSHRGRIN2D
SCHEMBL5041177 0.79 CYP1A2 (0.59) CYP1A2ALDH1A1TDP1MAPTCA2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4561563-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF Ensem Therapeutics, Inc. (US) 2025-06-04 EP disclosed
WO-2024026129-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
US-11491091-B2 Cooling product SYMRISE AG (DE) 2022-11-08 US disclosed
CN-114007734-A Method for preparing capsules 宝洁公司 2022-02-01 CN disclosed
CN-113660926-A Capsule 宝洁公司 2021-11-16 CN disclosed
CN-113631695-A Capsule 宝洁公司 2021-11-09 CN disclosed
US-20190099342-A1 COOLING PRODUCT SYMRISE AG (DE) 2019-04-04 US disclosed
EP-3434330-A1 A METHOD FOR ENHANCING THE COOLING EFFECT OF A COOLING COMPOUND Symrise AG (DE) 2019-01-30 EP disclosed
EP-2741731-B1 ENCAPSULATES PROCTER & GAMBLE (US) 2017-05-17 EP disclosed
EP-2803666-B1 Cyclic acetals and ketals and their use as fragrance compounds SYMRISE AG (DE) 2016-04-27 EP disclosed
EP-2421815-B1 ACETALS AS PERFUMING INGREDIENTS FIRMENICH & CIE (CH) 2013-05-01 EP disclosed
EP-2568035-A1 Perfume mixtures containing certain isolongifolenyl methyl ethers Symrise AG (DE) 2013-03-13 EP disclosed
EP-2287158-B1 Ambergris Odorous Substance based on 9-Methanoazuleno(5,6-d)-1,3-dioxoles SYMRISE AG (DE) 2012-11-14 EP disclosed
US-8236749-B2 Acetals as perfuming ingredients FIRMENICH SA (CH) 2012-08-07 US disclosed
EP-2468239-A1 Encapsulates Procter & Gamble International Operations SA (CH) 2012-06-27 EP disclosed
EP-2421815-A1 ACETALS AS PERFUMING INGREDIENTS Firmenich S.A. (CH) 2012-02-29 EP disclosed
US-20120010114-A1 ACETALS AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2012-01-12 US disclosed
EP-2287158-A1 Ambergris Odorous Substance based on 9-Methanoazuleno(5,6-d)-1,3-dioxoles Symrise AG (DE) 2011-02-23 EP disclosed
WO-2010122451-A1 ACETALS AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2010-10-28 WO disclosed
EP-2184339-A1 Perfume mixtures containing isolongifolanol and musk Symrise GmbH & Co. KG (DE) 2010-05-12 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 (3 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-11491091-B2 Cooling product TRPA1, TRPV2, TRPV1 CYP1A2 481/4885ALDH1A1 37/4885TDP1 909/4885
US-20190099342-A1 COOLING PRODUCT TRPA1, TRPV2, NISCH CYP1A2 385/4885ALDH1A1 40/4885TDP1 880/4885
US-20120010114-A1 ACETALS AS PERFUMING INGREDIENTS CBR1, CBR3, C9 CYP1A2 84/4885ALDH1A1 131/4885TDP1 2948/4885

“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.