SCHEMBL20307151

SCHEMBL20307151

Cc1cc(C(C)C)n(-c2ccccc2F)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.43
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
FCGR1A P12314 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PDE2A O00408 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KCNN4 O15554 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.38
PRNP P04156 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NOTUM Q6P988 1/20 0.38
SPR P35270 1/20 0.37
RIPK1 Q13546 1/20 0.37

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
SCHEMBL17033294 0.80 KDM4E (0.58) MAPK1KMT2AHPGDKDM4EMEN1
SCHEMBL9906371 0.78 CYP2C19 (0.59) CYP1A2MAPK1CYP2C19HPGDFCGR1A
SCHEMBL31469277 0.77 KCNN4 (0.42) CYP1A2MAPK1CYP2C19KMT2AHPGD
SCHEMBL10925409 0.77 CYP1A2 (0.59) CYP1A2MAPK1CYP2C19KMT2AHPGD
SCHEMBL17031854 0.74 KMT2A (0.40) CYP1A2MAPK1CYP2C19KMT2AHPGD
SCHEMBL17039422 0.74 KCNN4 (0.44) CYP1A2MAPK1CYP2C19KMT2AHPGD
SCHEMBL14094858 0.74 KDM4E (0.42) CYP1A2MAPK1CYP2C19KMT2AHPGD
SCHEMBL18161148 0.73 PPARA (0.47) CYP1A2MAPK1CYP2C19KMT2AHPGD
SCHEMBL17051067 0.73 ALDH1A1 (0.43) CYP1A2MAPK1CYP2C19KMT2AHPGD
SCHEMBL5807865 0.72 PTGS1 (0.52) KMT2AKDM4ENPSR1MEN1NOTUM

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-20190185498-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-06-20 US disclosed
US-10005802-B2 Amide compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-26 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-10005802-B2 Amide compounds for treatment of complement mediated disorders CFD, TFPI, CFH PLK1 2939/4885CYP1A2 2371/4885MAPK1 604/4885
US-20190185498-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, F3 PLK1 3780/4885CYP1A2 2103/4885MAPK1 993/4885

“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.