SCHEMBL21789250

SCHEMBL21789250

Cc1cc(C)c(C(C)C)c(F)n1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ADORA1 P30542 1/20 0.32
TLR9 Q9NR96 6/20 0.32
TLR8 Q9NR97 6/20 0.32
TLR7 Q9NYK1 6/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 3/20 0.31
APOBEC3G Q9HC16 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL25928173 0.81 KDM4E (0.31) KDM4ELMNAALDH1A1MAPT
SCHEMBL10725037 0.79 ALDH1A1 (0.37) KDM4ELMNACYP1A2RECQLALDH1A1
SCHEMBL24287696 0.78
SCHEMBL25928112 0.78
SCHEMBL13438497 0.77 CYP1A2 (0.33) KDM4ECYP1A2RECQLALDH1A1MEN1
SCHEMBL15000331 0.77 ALDH1A1 (0.32) KDM4ELMNACYP1A2RECQLALDH1A1
SCHEMBL15000323 0.77 RECQL (0.41) KDM4ELMNACYP1A2RECQLALDH1A1
SCHEMBL15000310 0.77 RECQL (0.34) KDM4ELMNACYP1A2RECQLALDH1A1
SCHEMBL20285951 0.76 SMN1; SMN2 (0.47) LMNACYP1A2ALDH1A1MEN1KMT2A
SCHEMBL19503274 0.76 KDM4E (0.47) KDM4ELMNACYP1A2ALDH1A1TLR9

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-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-08-10 US disclosed
US-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-03-05 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 (2 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-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders CFD, TFPI, CFH KDM4E 3412/4885LMNA 2273/4885CYP1A2 216/4885
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH KDM4E 3553/4885LMNA 2135/4885CYP1A2 138/4885

“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.