SCHEMBL14923973

SCHEMBL14923973

CC(C)c1ccc(N2CCN(C3CCCCC3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.55
L3MBTL3 Q96JM7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM2B Q8NHM5 7/20 0.49
KMT2A Q03164 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
CHRM2 P08172 4/20 0.47
CHRM1 P11229 4/20 0.47
POLB P06746 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
SCHEMBL21026598 0.98 SIGMAR1 (0.53) SIGMAR1L3MBTL3L3MBTL1KDM2BKMT2A
SCHEMBL10169301 0.95 KDM2B (0.53) SIGMAR1L3MBTL3L3MBTL1KDM2BKMT2A
SCHEMBL10169300 0.92 KMT2A (0.53) SIGMAR1L3MBTL3L3MBTL1KDM2BKMT2A
SCHEMBL14923970 0.87 L3MBTL3 (0.71) L3MBTL3L3MBTL1KDM2BKMT2AHRH3
SCHEMBL14923967 0.86 KMT2A (0.51) SIGMAR1L3MBTL3L3MBTL1KDM2BKMT2A
SCHEMBL17660589 0.86 L3MBTL1 (0.48) SIGMAR1L3MBTL3L3MBTL1KDM2BKMT2A
SCHEMBL24123752 0.85 L3MBTL3 (0.68) L3MBTL3L3MBTL1KDM2BKMT2AHRH3
SCHEMBL14924004 0.85 L3MBTL3 (0.73) L3MBTL3L3MBTL1KDM2BKMT2AHRH3
SCHEMBL21731334 0.84 KMT2A (0.47) SIGMAR1L3MBTL3L3MBTL1KDM2BKMT2A
SCHEMBL25897977 0.84 HRH3 (0.52) SIGMAR1L3MBTL3L3MBTL1KDM2BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934303-B2 Aryl ethene derivative and pharmaceutical composition containing same as active ingredient DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2021-03-02 US disclosed
US-20190167820-A1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HWANG SUNG YEOUN (KR) 2019-06-06 US disclosed
US-20190161490-A1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT NOVMETAPHARMA CO., LTD. (KR) 2019-05-30 US disclosed
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 US disclosed
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 US disclosed
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2016-08-11 US disclosed
US-9345719-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2016-05-24 US disclosed
US-8957065-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD (KR) 2015-02-17 US disclosed
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2015-02-12 US disclosed
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD. (KR) 2013-05-09 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-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, LTK, FYN SIGMAR1 4821/4885L3MBTL3 3429/4885L3MBTL1 2596/4885
US-20190167820-A1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ESRRG, ESR2, ESR1 SIGMAR1 206/4885L3MBTL3 4884/4885L3MBTL1 4883/4885
US-20190161490-A1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ESRRG, ESR2, ESR1 SIGMAR1 206/4885L3MBTL3 4884/4885L3MBTL1 4883/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 SIGMAR1 4807/4885L3MBTL3 3628/4885L3MBTL1 2790/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 SIGMAR1 4807/4885L3MBTL3 3628/4885L3MBTL1 2790/4885
US-10934303-B2 Aryl ethene derivative and pharmaceutical composition containing same as active ingredient ESRRG, ESR1, ESR2 SIGMAR1 206/4885L3MBTL3 4884/4885L3MBTL1 4883/4885

“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.