SCHEMBL12054100

SCHEMBL12054100

CCCC(C)(CC)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.46
ESR2 Q92731 4/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 1/20 0.42
CYP19A1 P11511 3/20 0.42
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCL2 P10415 1/20 0.37
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL20927022 0.88 SMN1; SMN2 (0.44) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL13930871 0.87 MEN1 (0.52) ESR1ESR2MEN1KMT2ACYP19A1
SCHEMBL7041297 0.84 KMT2A (0.44) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL7041299 0.84 ESR1 (0.47) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL15478368 0.82 MEN1 (0.42) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL19592942 0.81 SMN1; SMN2 (0.41) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL10179124 0.81 MEN1 (0.44) ESR1ESR2MEN1KMT2ACYP19A1
SCHEMBL24004027 0.79 ESR1 (0.50) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL22654049 0.79 MEN1 (0.50) ESR1ESR2MEN1KMT2ACYP19A1
SCHEMBL21164691 0.79 ESR1 (0.46) ESR1ESR2MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988448-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2021-04-27 US disclosed
US-20190345109-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. 2019-11-14 US disclosed
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
US-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 US disclosed
US-20110312997-A1 Inhibition of WDR5 Interaction with Its Binding Partners THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2011-12-22 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-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 ESR1 4768/4885ESR2 4317/4885MEN1 2824/4885
US-10988448-B2 Therapeutic compounds and compositions PDK1, PDK2, PDK3 ESR1 2290/4885ESR2 693/4885MEN1 3010/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT ESR1 2700/4885ESR2 1201/4885MEN1 2234/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT ESR1 2700/4885ESR2 1201/4885MEN1 2234/4885
US-20190345109-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PDK2, PDK3 ESR1 2290/4885ESR2 693/4885MEN1 3010/4885
US-20110312997-A1 Inhibition of WDR5 Interaction with Its Binding Partners WDR5, WDR77, WDR1 ESR1 2980/4885ESR2 2724/4885MEN1 1574/4885

“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.