SCHEMBL21134670

SCHEMBL21134670

COc1cc(F)ccc1-c1ccccc(C(C)C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.42
PTPN1 P18031 1/20 0.42
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
BRD4 O60885 1/20 0.39
CTSA P10619 4/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
DUSP3 P51452 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL19234743 0.86 KDM4E (0.47) PTPRCPTPN1AKR1C3AKR1C2KCNK3
SCHEMBL18649200 0.82 RECQL (0.47) PTPRCPTPN1AKR1C3AKR1C2MEN1
SCHEMBL17033164 0.81 S1PR1 (0.43) PTPRCPTPN1AKR1C3AKR1C2BRD4
SCHEMBL23259238 0.80 HDAC4 (0.42) KCNK3KCNK9KDM4EHDAC4HDAC8
SCHEMBL17056086 0.79 PTPRC (0.41) PTPRCPTPN1BRD4MEN1MAPT
SCHEMBL18611203 0.78 SMN1; SMN2 (0.41) PTPRCPTPN1BRD4KDM4ESTK10
SCHEMBL10094441 0.77 APP (0.41) PTPRCPTPN1AKR1C3AKR1C2MEN1
SCHEMBL17031801 0.77 BRD4 (0.39) PTPRCPTPN1AKR1C3AKR1C2BRD4
SCHEMBL13232511 0.72 APP (0.48) PTPRCPTPN1AKR1C3AKR1C2KCNK3
SCHEMBL765434 0.72 GAA (0.43) KCNK3KCNK9MEN1KMT2AKDM4E

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-10464956-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-11-05 US disclosed
US-20190185498-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-06-20 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-10464956-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders TFPI, CFD, F3 PTPRC 1191/4885PTPN1 2307/4885AKR1C3 254/4885
US-20190185498-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, F3 PTPRC 1191/4885PTPN1 2307/4885AKR1C3 254/4885

“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.