SCHEMBL12176202

SCHEMBL12176202

Cc1cccc(C)c1C(=O)N1CCCC(C(=O)Nc2cccc(C(C)(C)C)c2)C1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 4/20 0.46
▸ DCUN1D1 Q96GG9 4/20 0.46
▸ EPHX2 P34913 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ TSHR P16473 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ USP2 O75604 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TRPV4 Q9HBA0 2/20 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
SCHEMBL18790113 0.87 ALDH1A1 (0.44) UBE2MDCUN1D1EPHX2KDM4EMEN1
SCHEMBL18609357 0.87 RXFP1 (0.43) UBE2MDCUN1D1EPHX2KDM4EALDH1A1
SCHEMBL12176345 0.87 RXFP1 (0.43) UBE2MDCUN1D1EPHX2KDM4EALDH1A1
SCHEMBL13326616 0.87 RXFP1 (0.43) UBE2MDCUN1D1EPHX2KDM4EALDH1A1
SCHEMBL14959037 0.87 RXFP1 (0.43) UBE2MDCUN1D1EPHX2KDM4EALDH1A1
SCHEMBL12176081 0.86 RXFP1 (0.45) UBE2MDCUN1D1EPHX2KDM4EALDH1A1
SCHEMBL25132755 0.85 UBE2M (0.42) UBE2MDCUN1D1EPHX2ALDH1A1TSHR
SCHEMBL24016940 0.85 UBE2M (0.52) UBE2MDCUN1D1EPHX2KDM4EMEN1
SCHEMBL14960485 0.84 CYP1A2 (0.40) UBE2MDCUN1D1EPHX2KDM4EMEN1
SCHEMBL18532606 0.84 ALDH1A1 (0.43) UBE2MDCUN1D1EPHX2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230102258-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2023-03-30 — — US disclosed
US-20170114017-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2017-04-27 — — US disclosed
US-9573897-B2 C5AR antagonists CHEMOCENTRYX, INC. (US) 2017-02-21 — — US disclosed
US-20160229802-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2016-08-11 — — US disclosed
US-9126939-B2 C5AR antagonists CHEMOCENTRYX, INC. 2015-09-08 — — US disclosed
US-20130172347-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2013-07-04 — — US disclosed
US-20110275639-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2011-11-10 — — US disclosed
US-20100311753-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2010-12-09 — — 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 (6 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-20110275639-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 UBE2M 4268/4885DCUN1D1 1926/4885EPHX2 1684/4885
US-20170114017-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 UBE2M 4268/4885DCUN1D1 1926/4885EPHX2 1684/4885
US-20160229802-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 UBE2M 4268/4885DCUN1D1 1926/4885EPHX2 1684/4885
US-20230102258-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 UBE2M 4268/4885DCUN1D1 1926/4885EPHX2 1684/4885
US-20100311753-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 UBE2M 4268/4885DCUN1D1 1926/4885EPHX2 1684/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 UBE2M 4268/4885DCUN1D1 1926/4885EPHX2 1684/4885

“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.

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