SCHEMBL15895347

SCHEMBL15895347

CC1(C)c2cc3c(cc2-c2cc4c(cc21)-c1c(cc(C#N)c2ccccc12)C4(C)C)C(C)(C)c1ccc2ccccc2c1-3

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.37
ANPEP P15144 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
LMNA P02545 1/20 0.33
MCL1 Q07820 1/20 0.32
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 1/20 0.30

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
SCHEMBL15895348 0.91 IMPDH2 (0.36) SLC22A12CA1CA2NCOA3IMPDH2
SCHEMBL15895408 0.87 PDK2 (0.34) SLC22A12NCOA3IMPDH2IMPDH1
SCHEMBL15895318 0.87 PDK2 (0.34) SLC22A12NCOA3IMPDH2IMPDH1
SCHEMBL20419970 0.85 MAPT (0.39) KDM4EALDH1A1NCOA3LMNACYP1A1
SCHEMBL21130128 0.83 MAPT (0.40) KDM4EALDH1A1NCOA3LMNACYP1A2
SCHEMBL15895345 0.83 NSD2 (0.32) SLC22A12NCOA3IMPDH2IMPDH1
SCHEMBL21130445 0.82 DNMT1 (0.37) KDM4EALDH1A1LMNACYP1A1CYP1A2
SCHEMBL15895423 0.82 CA1 (0.44) SLC22A12CA1CA2CYP1A1CYP1A2
SCHEMBL15895349 0.82 ALK (0.33) NCOA3IMPDH2IMPDH1
SCHEMBL15895262 0.82 NCOA3 (0.31) NCOA3IMPDH2IMPDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10559756-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2020-02-11 US disclosed
US-20160254456-A1 Materials for Electronic Devices MERCK PATENT GMBH (DE) 2016-09-01 US disclosed
WO-2014111269-A2 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-07-24 WO 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-20160254456-A1 Materials for Electronic Devices FHIT, TEC, EED SLC22A12 2047/4885ANPEP 2417/4885CA1 3350/4885
US-10559756-B2 Materials for electronic devices TEC, EFNA1, BMI1 SLC22A12 2016/4885ANPEP 2586/4885CA1 3105/4885

“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.