SCHEMBL2071082

SCHEMBL2071082

CCCC(O)Cc1cccc(Br)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MTOR P42345 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PLIN1 O60240 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
PLIN5 Q00G26 1/20 0.39
ABHD5 Q8WTS1 1/20 0.39
UCHL1 P09936 1/20 0.34
USP5 P45974 1/20 0.34
USP9X Q93008 1/20 0.34
MCL1 Q07820 1/20 0.33

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
SCHEMBL4626195 0.91 LTB4R (0.35) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL4627339 0.83 CRHR1 (0.33) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL1249740 0.79 NOS2 (0.41) ALDH1A1KDM4EKDM1AMAOAMAOB
SCHEMBL30401571 0.79 NOS2 (0.41) ALDH1A1KDM4EKDM1AMAOAMAOB
SCHEMBL20392411 0.75 SIRT2 (0.36) KDM1AMAOAMAOBMBOAT4CHRNB2
SCHEMBL14279059 0.74 GABRA1 (0.38) KDM4EKDM1AMAOAMAOBMBOAT4
SCHEMBL6630063 0.73 MBOAT4 (0.35) KDM1AMAOAMAOBMBOAT4FAAH
SCHEMBL3670965 0.73 KDM1A (0.36) KDM1AMAOAMAOBMBOAT4FAAH
SCHEMBL3960304 0.72 PTPRA (0.53) ALDH1A1SMN1; SMN2ALOX15KDM4EMAPT
SCHEMBL4835739 0.72 IRAK4 (0.40) ALDH1A1UCHL1USP5USP9XCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2522670-A1 Heterocyclic CRF receptor antagonists Takeda Pharmaceutical Company Limited (JP) 2012-11-14 EP disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 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 (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-20070179165-A1 Cyclic compounds CRHR1, CRHR2, MC2R LTB4R 566/4885ALDH1A1 786/4885MTOR 1009/4885

“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.