SCHEMBL10104532

SCHEMBL10104532

Cc1cc(C(F)(F)F)cc(N2CCOCC2)c1C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
LMNA P02545 6/20 0.53
KDM4E B2RXH2 5/20 0.53
SMN1; SMN2 Q16637 7/20 0.48
TSHR P16473 1/20 0.48
MCOLN3 Q8TDD5 1/20 0.44
HPGD P15428 2/20 0.44
SRPK1 Q96SB4 1/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL10104534 0.94 ALDH1A1 (0.48) ALDH1A1LMNAKDM4ESMN1; SMN2TSHR
SCHEMBL10104536 0.84 MAPT (0.40) ALDH1A1LMNAKDM4ESMN1; SMN2TSHR
SCHEMBL10104521 0.83 MAPT (0.40) ALDH1A1LMNASMN1; SMN2TSHRHPGD
SCHEMBL25795122 0.82 LMNA (0.63) ALDH1A1LMNAKDM4ESMN1; SMN2TSHR
SCHEMBL10104368 0.81 ADRB2 (0.43) ALDH1A1KDM4ETSHRHPGDSRPK1
SCHEMBL10104444 0.80 ALDH1A1 (0.69) ALDH1A1LMNAKDM4ESMN1; SMN2TSHR
SCHEMBL10104529 0.78 MAPT (0.47) ALDH1A1LMNAMAPTGAA
SCHEMBL20369638 0.76 KDM4E (0.56) ALDH1A1LMNAKDM4ESMN1; SMN2TSHR
SCHEMBL10104508 0.75 LMNA (0.44) ALDH1A1LMNAKDM4ESMN1; SMN2TSHR
SCHEMBL10104265 0.73 LMNA (0.49) ALDH1A1LMNAKDM4ESMN1; SMN2TSHR

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-8653087-B2 Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 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-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 ALDH1A1 860/4885LMNA 180/4885KDM4E 1224/4885

“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.