SCHEMBL9108470

SCHEMBL9108470

CC(C)c1ccc2c(c1)CCC1[C@](C)(CN)CCC[C@]21C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
TSHR P16473 2/20 1.00
CYP2D6 P10635 2/20 1.00
CYP2C19 P33261 2/20 1.00
PDK1 Q15118 1/20 1.00
PDK2 Q15119 1/20 1.00
PDK3 Q15120 1/20 1.00
PDK4 Q16654 1/20 1.00
CYP2C9 P11712 1/20 1.00
MAPK1 P28482 2/20 0.98
TP53 P04637 1/20 0.98
MAPT P10636 1/20 0.98
ALOX15 P16050 1/20 0.98
NPSR1 Q6W5P4 1/20 0.79
KARS1 Q15046 3/20 0.79
TDP1 Q9NUW8 5/20 0.66
LMNA P02545 1/20 0.65
RXRA P19793 1/20 0.64

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
SCHEMBL31682257 1.00 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRCYP2D6
SCHEMBL29380336 1.00 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRCYP2D6
SCHEMBL17158674 1.00 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRCYP2D6
SCHEMBL14029315 1.00 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRCYP2D6
SCHEMBL27863 1.00 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRCYP2D6
SCHEMBL27864 1.00 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRCYP2D6
SCHEMBL4943352 1.00 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRCYP2D6
SCHEMBL5933820 0.99 CYP3A4 (0.98) CYP3A4MEN1KMT2ATSHRCYP2D6
Hydrochloric Acid SCHEMBL29409504 0.99 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRCYP2D6
SCHEMBL17453400 0.99 CYP3A4 (0.98) CYP3A4MEN1KMT2ATSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140322304-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES THE PENN STATE RESEARCH FOUNDATION 2014-10-30 US claimed
US-20120141578-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES THE PENN STATE RESEARCH FOUNDATION (US) 2012-06-07 US claimed
US-20200113907-A1 PHARMACEUTICAL COMPOSITION AND TREATMENT METHOD FOR GENETIC DISEASE ASSOCIATED WITH SPLICING ABNORMALITIES KYOTO UNIVERSITY (JP) 2020-04-16 US disclosed
US-9839618-B2 Compositions and methods relating to proliferative diseases THE PENN STATE RESEARCH FOUNDATION (US) 2017-12-12 US disclosed
US-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-02 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 (4 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-20140322304-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES PCNA, DERA, TOP2A CYP3A4 4644/4885MEN1 568/4885KMT2A 2303/4885
US-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 CYP3A4 4800/4885MEN1 3909/4885KMT2A 4369/4885
US-20120141578-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES PCNA, DERA, TOP2A CYP3A4 4644/4885MEN1 568/4885KMT2A 2303/4885
US-20200113907-A1 PHARMACEUTICAL COMPOSITION AND TREATMENT METHOD FOR GENETIC DISEASE ASSOCIATED WITH SPLICING ABNORMALITIES RBM17, SFPQ, HNRNPAB CYP3A4 4461/4885MEN1 4003/4885KMT2A 3468/4885

“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.