SCHEMBL3308604

SCHEMBL3308604

CN1CC(C)(C)c2cc(Cl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
POLB P06746 2/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HDAC6 Q9UBN7 3/20 0.39
HDAC1 Q13547 2/20 0.39
CYP11B2 P19099 1/20 0.38
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KCNK2 O95069 2/20 0.37
KCNK10 P57789 1/20 0.37
KCNK4 Q9NYG8 1/20 0.37
NPY5R Q15761 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL17771671 0.85 XIAP (0.41) NOTUMPOLBHTR2AHTR2CCYP11B2
SCHEMBL17771713 0.82 PGR (0.42)
SCHEMBL14310527 0.80 POLB (0.43) NOTUMPOLBHTR2AHTR2CHDAC6
SCHEMBL5536032 0.79 ALDH1A1 (0.43) POLBLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL17771719 0.79 PGR (0.50) HDAC6LMNAKDM4E
SCHEMBL5468863 0.78 MAPT (0.38) POLBHTR2CLMNASMN1; SMN2ALDH1A1
SCHEMBL9917021 0.78 SLC6A2 (0.42) NOTUMHDAC6HDAC1ALDH1A1KDM4E
SCHEMBL17771804 0.78 SIGMAR1 (0.38) LMNASMN1; SMN2KCNK2ALDH1A1
SCHEMBL17771703 0.78 KDM4E (0.45) LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL17771785 0.77 NOTUM (0.37) NOTUM

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-3974147-A DIHYDRO-HETEROCYCLIC AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1976-08-10 US claimed
US-9346805-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-05-24 US disclosed
US-20130087682-A1 PHOTOELECTRIC CONVERSION DEVICE, IMAGING DEVICE, AND METHOD FOR DRIVING PHOTOELECTRIC CONVERSION DEVICE FUJIFILM CORPORATION (JP) 2013-04-11 US disclosed
US-8378101-B2 Organic semiconductor, photoelectric conversion device, imaging device and novel compounds FUJIFILM CORPORATION (JP) 2013-02-19 US disclosed
US-8278650-B2 Organic semiconductor, photoelectric conversion element and image device FUJIFILM CORPORATION (JP) 2012-10-02 US disclosed
US-20100102303-A1 ORGANIC SEMICONDUCTOR, PHOTOELECTRIC CONVERSION DEVICE, IMAGING DEVICE AND NOVEL COMPOUNDS FUJIFILM CORPORATION (JP) 2010-04-29 US disclosed
US-20090283758-A1 ORGANIC SEMICONDUCTOR, PHOTOELECTRIC CONVERSION ELEMENT AND IMAGE DEVICE FUJIFILM CORPORATION (JP) 2009-11-19 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-20100102303-A1 ORGANIC SEMICONDUCTOR, PHOTOELECTRIC CONVERSION DEVICE, IMAGING DEVICE AND NOVEL COMPOUNDS H1-3, H1-4, OR10J3 NOTUM 3557/4885POLB 457/4885HTR2A 4094/4885
US-20090283758-A1 ORGANIC SEMICONDUCTOR, PHOTOELECTRIC CONVERSION ELEMENT AND IMAGE DEVICE H1-0, CCNE1, H1-4 NOTUM 3409/4885POLB 1054/4885HTR2A 4140/4885

“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.