SCHEMBL12500449

SCHEMBL12500449

C#CCCCCCCC#Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP3A4 P08684 5/20 0.47
▸ CYP1A2 P05177 4/20 0.47
▸ CYP2C9 P11712 3/20 0.47
▸ CYP2C19 P33261 3/20 0.47
▸ THPO P40225 1/20 0.47
▸ BLM P54132 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.43
▸ APP P05067 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP12 P39900 1/20 0.39

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
SCHEMBL9428903 0.98 KDM4E (0.49) KDM4ECYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL10455227 0.85 CYP1A2 (0.52) KDM4ECYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL17911731 0.83 CYP1A2 (0.58) KDM4ECYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL2707756 0.80 CYP1A2 (0.47) CYP3A4CYP1A2CYP2C9CYP2C19THPO
SCHEMBL7900688 0.80 CYP1A2 (0.57) KDM4ECYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL23014997 0.80 CYP1A2 (0.56) KDM4ECYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL4948108 0.80 CYP1A2 (0.56) KDM4ECYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL8522596 0.80 CYP1A2 (0.47) CYP3A4CYP1A2CYP2C9CYP2C19THPO
SCHEMBL8590492 0.80 CYP1A2 (0.47) CYP3A4CYP1A2CYP2C9CYP2C19THPO
SCHEMBL7139040 0.80 FFAR1 (0.58) CYP3A4CYP1A2CYP2C9CYP2C19THPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994602-B2 Spiroannulated nucleosides and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-06-12 — — US disclosed
US-20160185811-A1 Spiroannulated nucleosides and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-30 — — US disclosed
US-9346847-B2 Spiroannulated nucleosides and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-05-24 — — US disclosed
EP-2658862-A1 SPIROANNULATED NUCLEOSIDES AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2013-11-06 — — EP disclosed
US-20130289266-A1 Spiroannulated Nucleosides and Process for the Preparation Thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-10-31 — — US disclosed
WO-2012090155-A1 SPIROANNULATED NUCLEOSIDES AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-07-05 — — 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-20160185811-A1 Spiroannulated nucleosides and process for the preparation thereof DCK, DUT, GNE KDM4E 4045/4885CYP3A4 1417/4885CYP1A2 1665/4885
US-20130289266-A1 Spiroannulated Nucleosides and Process for the Preparation Thereof DCK, DHPS, DUT KDM4E 3742/4885CYP3A4 1084/4885CYP1A2 1186/4885

“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.

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