SCHEMBL19978658

SCHEMBL19978658

CCCCn1c2ccccc2c2cccc(-c3cc(C)c(C)c(C)c3)c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.48
RORA P35398 2/20 0.48
RORC P51449 2/20 0.48
RORB Q92753 2/20 0.48
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
CNR2 P34972 4/20 0.41
CNR1 P21554 1/20 0.41
ALPL P05186 1/20 0.41
ALPG P10696 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 1/20 0.40
PABPC1 P11940 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
GLA P06280 1/20 0.40
APEX1 P27695 1/20 0.40

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
SCHEMBL24435660 0.85 PGR (0.44) PGRRORARORCRORBALDH1A1
SCHEMBL17691395 0.81 DYRK1A (0.47) PGRRORARORCRORBALDH1A1
SCHEMBL28042024 0.80 KDM4E (0.54) PGRRORARORCRORBALDH1A1
SCHEMBL28778338 0.80 KDM4E (0.54) PGRRORARORCRORBALDH1A1
SCHEMBL28590236 0.80 KDM4E (0.54) PGRRORARORCRORBALDH1A1
SCHEMBL19982649 0.79 ALKBH5 (0.60) ALDH1A1KDM4EHPGDLMNAPKM
SCHEMBL6280030 0.76 KDM4E (0.50) PGRRORARORCRORBALDH1A1
SCHEMBL29045210 0.75 PGR (0.55) PGRRORARORCRORBALDH1A1
SCHEMBL28516192 0.74 PGR (0.48) PGRRORARORCRORBALDH1A1
SCHEMBL27967408 0.74 PGR (0.56) PGRRORARORCRORBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180078535-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF IONS PHARMACEUTICAL S.À R.L. (LU) 2018-03-22 US disclosed
US-20180078535-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF IONS PHARMACEUTICAL S.À R.L. (LU) 2018-03-22 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-20180078535-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT PGR 4642/4885RORA 1717/4885RORC 1011/4885

“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.