SCHEMBL2070175

SCHEMBL2070175

CCCC(O)Cc1cccc(-c2c(C)cc(C)cc2C)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MTOR P42345 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PLIN1 O60240 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
PLIN5 Q00G26 1/20 0.34
ABHD5 Q8WTS1 1/20 0.34
CRHR1 P34998 5/20 0.33
NOS2 P35228 4/20 0.33
NOS1 P29475 3/20 0.33
HTR7 P34969 1/20 0.32

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
SCHEMBL4627339 0.93 CRHR1 (0.33) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL4627831 0.89 LTB4R (0.33) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL4627833 0.80 LTB4R (0.34) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL2070847 0.76 NOS1 (0.40) ALDH1A1SMN1; SMN2MAPTMAPK1CRHR1
SCHEMBL25015240 0.73 NOS1 (0.40) ALDH1A1SMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL2070288 0.73 CRHR1 (0.36) ALDH1A1SMN1; SMN2KDM4EMAPTCRHR1
SCHEMBL2071875 0.72 HTR7 (0.36) ALDH1A1SMN1; SMN2MAPTMAPK1CRHR1
SCHEMBL2069540 0.72 CRHR1 (0.42) CRHR1HTR7
SCHEMBL2071082 0.72 LTB4R (0.39) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL3623211 0.72 CCR1 (0.42) ALDH1A1SMN1; SMN2KDM4EMAPTMAPK1

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.