SCHEMBL9934168

SCHEMBL9934168

Cc1cc(C)cc(C)c1.O=[N+]([O-])n1cncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
PKM P14618 4/20 0.38
KDM4E B2RXH2 1/20 0.35
POLB P06746 2/20 0.34
FBP1 P09467 1/20 0.33
GPR35 Q9HC97 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 4/20 0.30
MAPT P10636 4/20 0.30
HPGD P15428 4/20 0.30
NPC1 O15118 3/20 0.30
HTT P42858 3/20 0.30
RAB9A P51151 3/20 0.30
SMN1; SMN2 Q16637 3/20 0.30
XBP1 P17861 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
TP53 P04637 2/20 0.30
ATM Q13315 2/20 0.30
S1PR2 O95136 1/20 0.30
S1PR4 O95977 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
SCHEMBL29002968 0.64
SCHEMBL16478505 0.64 NOTUM (0.48) KDM4EPOLBFBP1ALDH1A1LMNA
Nitric Acid SCHEMBL28348863 0.62 TSHR (0.62) TSHRKDM4EGPR35ALDH1A1LMNA
SCHEMBL1097495 0.59 TSHR (1.00) TSHRPOLBGPR35ALDH1A1LMNA
SCHEMBL3311838 0.58 ALDH1A1 (0.43) TSHRKDM4EPOLBFBP1ALDH1A1
SCHEMBL28425258 0.55 ALDH1A1 (0.57) TSHRKDM4EALDH1A1
SCHEMBL19376983 0.55 ALDH1A1 (0.57) TSHRKDM4EALDH1A1
SCHEMBL341533 0.54 ALDH1A1 (0.67) TSHRALDH1A1SMN1; SMN2
SCHEMBL26115 0.54
SCHEMBL635130 0.54 TSHR (0.90) TSHRPOLBGPR35ALDH1A1LMNA

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
US-10131908-B2 5′ phosphate mimics ALNYLAM PHARMACEUTICALS, INC. (US) 2018-11-20 US disclosed
US-20150080457-A1 5' PHOSPHATE MIMICS BANK OF AMERICA, N.A. 2015-03-19 US disclosed
US-8927513-B2 5′ phosphate mimics ALNYLAM PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-20120157511-A1 5' PHOSPHATE MIMICS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-06-21 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 (3 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-20120157511-A1 5' PHOSPHATE MIMICS NSUN2, RNGTT, RNMT TSHR 3336/4885PKM 2925/4885KDM4E 1953/4885
US-20150080457-A1 5' PHOSPHATE MIMICS NSUN2, RNGTT, RNMT TSHR 3344/4885PKM 2960/4885KDM4E 1978/4885
US-10131908-B2 5′ phosphate mimics NSUN2, RNGTT, RNMT TSHR 3339/4885PKM 3029/4885KDM4E 2036/4885

“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.