SCHEMBL17185481

SCHEMBL17185481

C=CCC(C#N)(C#N)CCCCC

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 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
SCHEMBL9453333 0.80 TSHR (0.42) TSHR
SCHEMBL27908434 0.80 TSHR (0.38) TSHR
SCHEMBL5879391 0.79 TSHR (0.38) TSHRALDH1A1ZDHHC20ZDHHC2
SCHEMBL9045147 0.78 TSHR (0.37) TSHRALDH1A1ZDHHC20ZDHHC2
SCHEMBL9237767 0.76 TSHR (0.38) TSHR
SCHEMBL11857578 0.74 TSHR (0.41) TSHRALDH1A1
SCHEMBL4058604 0.74 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL23132563 0.73 TSHR (0.44) TSHRALDH1A1
SCHEMBL21048939 0.73 ALDH1A1 (0.40) ALDH1A1
SCHEMBL4791142 0.73 TSHR (0.44) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10857121-B2 Use of malononitrile compounds for protecting animals from parasites MERIAL INC. (US) 2020-12-08 US claimed
EP-3131398-B1 USE OF MALONONITRILE COMPOUNDS FOR PROTECTING ANIMALS FROM PARASITES BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2019-10-23 EP claimed
EP-3131398-A1 USE OF MALONONITRILE COMPOUNDS FOR PROTECTING ANIMALS FROM PARASITES Merial, Inc. (US) 2017-02-22 EP claimed
US-20170027899-A1 USE OF MALONONITRILE COMPOUNDS FOR PROTECTING ANIMALS FROM PARASITES MERIAL INC. (US) 2017-02-02 US claimed
WO-2015161224-A1 USE OF MALONONITRILE COMPOUNDS FOR PROTECTING ANIMALS FROM PARASITES MERIAL, INC. (US) 2015-10-22 WO claimed
US-10857121-B2 Use of malononitrile compounds for protecting animals from parasites MERIAL INC. (US) 2020-12-08 US disclosed
US-10857121-B2 Use of malononitrile compounds for protecting animals from parasites MERIAL INC. (US) 2020-12-08 US disclosed
EP-3131398-B1 USE OF MALONONITRILE COMPOUNDS FOR PROTECTING ANIMALS FROM PARASITES BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2019-10-23 EP disclosed
CN-104869826-B Malononitrile compound for preventing and treating animal pest 巴斯夫欧洲公司 2017-08-29 CN disclosed
EP-3131398-A1 USE OF MALONONITRILE COMPOUNDS FOR PROTECTING ANIMALS FROM PARASITES Merial, Inc. (US) 2017-02-22 EP disclosed
EP-3131398-A1 USE OF MALONONITRILE COMPOUNDS FOR PROTECTING ANIMALS FROM PARASITES Merial, Inc. (US) 2017-02-22 EP disclosed
CN-106455560-A Use of malononitrile compounds for protecting animals from parasites 梅里亚股份有限公司 2017-02-22 CN disclosed
US-20170027899-A1 USE OF MALONONITRILE COMPOUNDS FOR PROTECTING ANIMALS FROM PARASITES MERIAL INC. (US) 2017-02-02 US disclosed
US-20170027899-A1 USE OF MALONONITRILE COMPOUNDS FOR PROTECTING ANIMALS FROM PARASITES MERIAL INC. (US) 2017-02-02 US disclosed
WO-2015161224-A1 USE OF MALONONITRILE COMPOUNDS FOR PROTECTING ANIMALS FROM PARASITES MERIAL, INC. (US) 2015-10-22 WO disclosed
WO-2015161224-A1 USE OF MALONONITRILE COMPOUNDS FOR PROTECTING ANIMALS FROM PARASITES MERIAL, INC. (US) 2015-10-22 WO disclosed
CN-104869826-A Malononitrile compounds for controlling animal pests BASF SE 2015-08-26 CN 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-10857121-B2 Use of malononitrile compounds for protecting animals from parasites MAL2, NAT1, ME1 TSHR 4369/4885ALDH1A1 43/4885ZDHHC20 1261/4885
US-20170027899-A1 USE OF MALONONITRILE COMPOUNDS FOR PROTECTING ANIMALS FROM PARASITES MAL2, NAT1, ME1 TSHR 4369/4885ALDH1A1 43/4885ZDHHC20 1261/4885

“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.