SCHEMBL105433

SCHEMBL105433

CC(C)(C)c1ccc(CC#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
EPHX2 P34913 1/20 0.42
TSHR P16473 4/20 0.42
TP53 P04637 2/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 3/20 0.41
TYR P14679 1/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
APP P05067 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 1/20 0.38
GMNN O75496 1/20 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
SCHEMBL15125629 0.94 KIF11 (0.57) KIF11EPHX2TSHRTP53KCNH2
SCHEMBL8763137 0.86 ESR1 (0.41) KIF11EPHX2TSHRESR1ESR2
SCHEMBL10730816 0.84 ESR1 (0.39) KIF11EPHX2LMNAESR1ESR2
SCHEMBL7873873 0.83 PDE2A (0.41) TSHRTP53LMNAESR1ESR2
SCHEMBL18949345 0.81 NPC1 (0.42) KCNH2LMNAESR1ESR2L3MBTL1
SCHEMBL2154504 0.80 KMT2A (0.47) LMNAL3MBTL1KMT2AMAPTTDP1
SCHEMBL8992875 0.79 ESR1 (0.48) ESR1ESR2ALDH1A1KMT2ANPC1
SCHEMBL18648717 0.79 ESR1 (0.36) ESR1ESR2L3MBTL1ALDH1A1KMT2A
SCHEMBL171951 0.78 KCNH2 (0.47) KIF11EPHX2TSHRTP53KCNH2
SCHEMBL4498551 0.78 MMP3 (0.41) KIF11ESR1ESR2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115819280-B T.bufalin Process for the preparation of esters 天津均凯农业科技有限公司 2025-02-18 CN claimed
CN-115974722-B Synthesis method of cyflumetofen 天津均凯农业科技有限公司 2024-08-06 CN claimed
CN-118359798-A Aryl and cyano difunctional poly ɛ -caprolactone polymer and preparation method thereof 大连理工大学 2024-07-19 CN claimed
CN-115974688-A Synthesis method of p-tert-butyl methyl phenylacetate 滕州市悟通香料有限责任公司 2023-04-18 CN claimed
CN-115974722-A Synthesis method of cyflumetofen 天津均凯农业科技有限公司 2023-04-18 CN claimed
CN-115819280-A Preparation method of cyflumetofen 天津均凯农业科技有限公司 2023-03-21 CN claimed
CN-112915564-A Crude p-tert-butyl phenylacetonitrile distillation purification equipment 昂吉(上海)环保新材料科技有限公司 2021-06-08 CN claimed
CN-112808217-A Raw material mixing equipment for preparing p-tert-butyl phenylacetonitrile 昂吉(上海)环保新材料科技有限公司 2021-05-18 CN claimed
CN-102140071-A Method for synthesizing 2-(4-tert-butyl-phenyl) malonic mononitrile (2-methoxyl) ethyl ester TIANJIN SHIPULE PESTICIDE TECHNICAL DEP CO LTD 2011-08-03 CN claimed
US-20110020251-A1 Ultraviolet-Absorbing Compounds AVOCA LLC 2011-01-27 US claimed
US-7713922-B2 Perfume compositions QUEST INTERNATIONAL SERVICES B.V. (NL) 2010-05-11 US claimed
US-20090137450-A1 Perfume Compositions QUEST INTERNATIONAL SERVICES B.V. (NL) 2009-05-28 US claimed
EP-1926530-A1 PERFUME COMPOSITIONS Quest International Services B.V. (NL) 2008-06-04 EP claimed
WO-2007034187-A1 PERFUME COMPOSITIONS QUEST INTERNATIONAL SERVICES B.V. (NL) 2007-03-29 WO claimed
US-20060052276-A1 Armoise Tunisian oil, para-t-butylphenylacetonitrile, dihydrolinalol, N-ethyl-N-(3-methylphenyl)propionamide, 4-(5-ethylbicyclo[2.2.1]heptyl-2)-cyclohexanol, ethyltricyclo[5.2.1.0{2,6}]decane-2-carboxylate; inhibiting the biotransformation of androstadienols to androstenones QUEST INTERNATIONAL SERVICES B.V. (NL) 2006-03-09 US claimed
EP-1523543-A1 IMPROVEMENTS IN OR RELATING TO PERFUME COMPOSITIONS Quest International Services B.V. (NL) 2005-04-20 EP claimed
WO-2004009750-A1 IMPROVEMENTS IN OR RELATING TO PERFUME COMPOSITIONS QUEST INTERNATIONAL SERVICES B.V. (NL) 2004-01-29 WO claimed
EP-4695016-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2026-02-18 EP disclosed
US-4180584-A ANALGESIC; NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1979-12-25 US disclosed
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 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 (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-20110020251-A1 Ultraviolet-Absorbing Compounds UFM1, UHRF1, CUTA KIF11 3872/4885EPHX2 1254/4885TSHR 2543/4885

“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.