SCHEMBL19987637

SCHEMBL19987637

CCCCC(C)(C)CCCN

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
EPHX1 P07099 1/20 0.48
FDPS P14324 3/20 0.39
GABBR2 O75899 1/20 0.34
GABRR1 P24046 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
CYP2D6 P10635 1/20 0.33
SMPD1 P17405 2/20 0.32

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
SCHEMBL20792110 0.92 DNM1 (0.52) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL8882237 0.90 DNM1 (0.57) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL3628004 0.90 DNM1 (0.57) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL3627331 0.90 DNM1 (0.57) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL29222649 0.90 DNM1 (0.57) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL18560318 0.89 DNM1 (0.41) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL22104762 0.89 DNM1 (0.41) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL48727 0.88 CYP2D6 (0.41) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL8897968 0.85 TSHR (0.43) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL18400700 0.84 DNM1 (0.65) DNM1MEN1KMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3894410-B1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2023-10-11 EP disclosed
US-11545636-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-01-03 US disclosed
US-20180175308-A1 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-06-21 US disclosed
EP-2961751-B1 1,6- DIAZABICYCLO [3,2,1]OCTAN- 7- ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS WOCKHARDT LTD (IN) 2018-03-21 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 (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-20180175308-A1 Organic electroluminescent materials and devices OCIAD1, OCIAD2, OSBP DNM1 1059/4885MEN1 4687/4885KMT2A 4058/4885
US-11545636-B2 Organic electroluminescent materials and devices OCIAD1, OCIAD2, OSBP DNM1 1059/4885MEN1 4687/4885KMT2A 4058/4885

“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.