SCHEMBL198213

SCHEMBL198213

Cc1ccccc1C(O)C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ESR1 P03372 1/20 0.45
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
ACP3 P15309 1/20 0.39
ACHE P22303 1/20 0.38
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
SGMS2 Q8NHU3 2/20 0.34
PRSS1 P07477 1/20 0.34
CTSG P08311 1/20 0.34

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
SCHEMBL5697209 1.00 TSHR (0.50) TSHRESR1ALDH1A1MEN1LMNA
SCHEMBL8755381 0.86 MEN1 (0.40) TSHRESR1ALDH1A1MEN1LMNA
SCHEMBL13937393 0.84 TSHR (0.61) TSHRESR1ALDH1A1MEN1MAPT
SCHEMBL3764158 0.80 ESR1 (0.46) TSHRESR1ALDH1A1MEN1LMNA
SCHEMBL1200939 0.80 AR (0.44) TSHRESR1ALDH1A1MEN1LMNA
SCHEMBL1201090 0.78 TSHR (0.50) TSHRALDH1A1LMNAKMT2ASLC6A2
SCHEMBL27837019 0.78 TSHR (0.50) TSHRALDH1A1LMNAKMT2ASLC6A2
SCHEMBL10836507 0.78 ESR1 (0.45) TSHRESR1ALDH1A1MEN1LMNA
SCHEMBL13993318 0.78 ESR1 (0.59) TSHRESR1ALDH1A1GAAACP3
SCHEMBL7030620 0.77 ESR1 (0.48) TSHRESR1ALDH1A1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985572-B2 Modified nitrilases and their use in methods for the production of carboxylic acids BASF SE (DE) 2011-07-26 US claimed
EP-1599584-B1 MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS BASF SE (DE) 2009-07-01 EP claimed
CN-100445375-C Modified nitrilases and their use in methods for the production of carboxylic acids BASF AG (DE) 2008-12-24 CN claimed
US-20060259999-A1 Modified nitrilases and their use in methods for the production of carboxylic acids BASF AKTIENGESELLSCHAFT (DE) 2006-11-16 US claimed
CN-1753990-A Modified nitrilases and their use in methods for the production of carboxylic acids BASF AG (DE) 2006-03-29 CN claimed
EP-1599584-A1 MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2005-11-30 EP claimed
WO-2004076655-A1 MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2004-09-10 WO claimed
EP-0957083-B1 Process for stabilising cyanhydrines DSM FINE CHEM AUSTRIA GMBH (AT) 2002-04-10 EP claimed
US-6031123-A Process for stabilizing cyanohydrins DSM FINE CHEMICALS AUSTRIA GMBH (AT) 2000-02-29 US claimed
EP-0527553-B1 Process for producing r(-)-mandelic acid and derivative thereof NITTO CHEMICAL INDUSTRY CO LTD (JP) 1997-05-07 EP claimed
US-5296373-A Stereoselective hydrolysis of mandelonitrile in neutral or basic aqueous medium NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1994-03-22 US claimed
EP-0527553-A1 Process for producing r(-)-mandelic acid and derivative thereof NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1993-02-17 EP claimed
US-11649204-B2 Process for the preparation of trifloxystrobin HIKAL LIMITED (IN) 2023-05-16 US disclosed
US-11649204-B2 Process for the preparation of trifloxystrobin HIKAL LIMITED (IN) 2023-05-16 US disclosed
CN-108368033-B Method for preparing trifloxystrobin GSP作物科学有限公司 2021-05-04 CN disclosed
US-20200283373-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF TRIFLOXYSTROBIN HIKAL LIMITED (IN) 2020-09-10 US disclosed
US-5296373-A Stereoselective hydrolysis of mandelonitrile in neutral or basic aqueous medium NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1994-03-22 US disclosed
EP-0561637-A2 A catalyst for asymmetric induction SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-09-22 EP disclosed
EP-0527553-A1 Process for producing r(-)-mandelic acid and derivative thereof NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1993-02-17 EP disclosed
US-5145980-A OXIME ETHERS, AND FUNGICIDES CONTAINING SAME BASF AKTIENGESELLSCHAFT (DE) 1992-09-08 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-11649204-B2 Process for the preparation of trifloxystrobin CYP3A7, CYP51A1, TREH TSHR 1670/4885ESR1 4081/4885ALDH1A1 539/4885
US-20200283373-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF TRIFLOXYSTROBIN SI, TREH, CYP3A7 TSHR 1674/4885ESR1 4351/4885ALDH1A1 765/4885

“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.