SCHEMBL2758352

SCHEMBL2758352

COc1ccc2c(c1F)CCC1C2CC[C@@]2(C)C1CC[C@@H]2C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.56
ESR1 P03372 6/20 0.48
ESR2 Q92731 5/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 2/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
G6PD P11413 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
MPI P34949 1/20 0.48
STS P08842 2/20 0.46
HSD17B10 Q99714 3/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL2758334 0.84 ESR1 (0.47) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL9154839 0.80 STS (0.72) CYP19A1ESR1ESR2LMNAMAPT
SCHEMBL14070831 0.77 HSD17B10 (0.60) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL2758348 0.77 CYP1A1 (0.60) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL14423904 0.77 ESR1 (0.77) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL4665285 0.75 ESR1 (0.66) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL17525951 0.75 CYP19A1 (0.53) CYP19A1ESR1ESR2LMNAMEN1
SCHEMBL13015302 0.74 LMNA (0.77) ESR1LMNAMAPTKMT2AKDM4E
SCHEMBL10079788 0.74 LMNA (0.77) ESR1LMNAMAPTKMT2AKDM4E
SCHEMBL14506283 0.74 ESR1 (0.65) CYP19A1ESR1ESR2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9302990-B2 Fluorination of aromatic ring systems NUTECH VENTURES (US) 2016-04-05 US disclosed
US-8546578-B2 Iodonium Cyclophanes for SECURE arene functionalization NUTECH VENTURES (US) 2013-10-01 US disclosed
US-20120004417-A1 FLUORINATION OF AROMATIC RING SYSTEMS NATIONAL SCIENCE FOUNDATION 2012-01-05 US disclosed
US-20110313170-A1 Fluorination of Aromatic Ring Systems BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2011-12-22 US disclosed
US-20110190505-A1 Iodonium Cyclophanes for SECURE Arene Functionalization NATIONAL SCIENCE FOUNDATION 2011-08-04 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 (3 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-20120004417-A1 FLUORINATION OF AROMATIC RING SYSTEMS PFAS, SLC43A1, DDC CYP19A1 1152/4885ESR1 1900/4885ESR2 2914/4885
US-20110190505-A1 Iodonium Cyclophanes for SECURE Arene Functionalization ABL1, SLC7A5, DDC CYP19A1 2700/4885ESR1 803/4885ESR2 3373/4885
US-20110313170-A1 Fluorination of Aromatic Ring Systems PFAS, SLC43A1, DDC CYP19A1 1152/4885ESR1 1900/4885ESR2 2914/4885

“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.