SCHEMBL4548616

SCHEMBL4548616

CC(C)(C)c1cnc2c(C(C)(C)C)cccc2c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
PSMD14 O00487 1/20 0.39
COPS5 Q92905 1/20 0.39
CA2 P00918 1/20 0.36
CCR1 P32246 2/20 0.35
CCR5 P51681 2/20 0.35
CCR8 P51685 2/20 0.35
PARP1 P09874 2/20 0.34
SLC40A1 Q9NP59 2/20 0.33
HPGDS O60760 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
KIF11 P52732 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
GLO1 Q04760 1/20 0.32
TRPA1 O75762 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
SCHEMBL13437140 0.88 KDM4E (0.43) KDM4EPSMD14COPS5PARP1SLC40A1
SCHEMBL21657612 0.82 KDM4E (0.42) KDM4EPSMD14COPS5CCR1CCR5
SCHEMBL26522958 0.81 KDM4E (0.38) KDM4EPSMD14COPS5CA2CCR1
SCHEMBL26523058 0.81 KDM4E (0.45) KDM4EPSMD14COPS5CA2CCR1
SCHEMBL26523059 0.81 KDM4E (0.38) KDM4EPSMD14COPS5CA2CCR1
SCHEMBL23479217 0.81 KDM4E (0.38) KDM4EPSMD14COPS5CCR1CCR5
SCHEMBL23478918 0.81 PTPN6 (0.38) KDM4EPSMD14COPS5CCR1CCR5
SCHEMBL14327674 0.81 CCR1 (0.52) KDM4EPSMD14COPS5CCR1CCR5
SCHEMBL24721913 0.78 PSMD14 (0.39) KDM4EPSMD14COPS5CA2CCR1
SCHEMBL13222348 0.78 HPGDS (0.57) KDM4EHPGDSCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228490-A1 HETEROCYCLIC DERIVATIVE INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-20240228490-A1 HETEROCYCLIC DERIVATIVE INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-9950076-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2018-04-24 US disclosed
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US disclosed
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US disclosed
US-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2017-07-27 US disclosed
US-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2017-07-27 US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
US-20160375147-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2016-12-29 US disclosed
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 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 (5 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-20160375147-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE SLC10A1, HNMT, OGFR KDM4E 4593/4885PSMD14 4017/4885COPS5 2957/4885
US-20240228490-A1 HETEROCYCLIC DERIVATIVE INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF WEE1, CYP51A1, WEE2 KDM4E 2645/4885PSMD14 2194/4885COPS5 2262/4885
US-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 KDM4E 4578/4885PSMD14 4126/4885COPS5 2996/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET KDM4E 4131/4885PSMD14 4772/4885COPS5 1453/4885
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH KDM4E 415/4885PSMD14 2926/4885COPS5 372/4885

“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.