SCHEMBL3146325

SCHEMBL3146325

CC(C)N1CCN(c2ccc(O)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 1.00
MAPT P10636 3/20 1.00
ALDH1A1 P00352 2/20 1.00
PKM P14618 1/20 1.00
ESR1 P03372 6/20 0.56
ESRRG P62508 4/20 0.56
ESRRB O95718 2/20 0.56
KCNH2 Q12809 3/20 0.54
FYN P06241 2/20 0.54
ALK Q9UM73 1/20 0.53
ESR2 Q92731 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HRH3 Q9Y5N1 1/20 0.48
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
HDAC4 P56524 1/20 0.47
DRD4 P21917 1/20 0.46
HTT P42858 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
SCHEMBL24688920 0.88 MAPT (0.78) KDM4EMAPTALDH1A1PKMESR1
SCHEMBL7041242 0.82 MAPT (0.68) KDM4EMAPTALDH1A1PKMTDP1
SCHEMBL20074141 0.82 KDM4E (0.69) KDM4EMAPTALDH1A1PKMESR1
SCHEMBL81911 0.82 MAPT (0.69) KDM4EMAPTALDH1A1PKMESRRG
Bromide SCHEMBL11208376 0.80 KDM4E (0.67) KDM4EMAPTALDH1A1PKMESR1
SCHEMBL24688923 0.80 ESRRG (0.65) KDM4EMAPTALDH1A1PKMESR1
SCHEMBL2543118 0.80 KDM4E (0.67) KDM4EMAPTALDH1A1PKMESR1
SCHEMBL12582119 0.80 MAPT (0.67) KDM4EMAPTALDH1A1PKMTDP1
SCHEMBL10169302 0.80 MAPT (0.67) KDM4EMAPTALDH1A1PKMESRRG
SCHEMBL13898896 0.80 KDM4E (0.67) KDM4EMAPTALDH1A1PKMMEN1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334481-B2 Compositions and methods for inducing cell dedifferentiation THE SCRIPPS RESEARCH INSTITUTE (US) 2016-05-10 US disclosed
US-20130196989-A1 COMPOSITIONS AND METHODS FOR INDUCING CELL DEDIFFERENTIATION THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-01 US disclosed
EP-1682150-B1 COMPOSITIONS AND METHODS FOR INDUCING CELL DEDIFFERENTIATION SCRIPPS RESEARCH INST (US) 2012-12-26 EP disclosed
US-8309555-B2 Compositions and methods for inducing cell dedifferentiation THE SCRIPPS RESEARCH INSTITUTE (US) 2012-11-13 US disclosed
US-8309555-B2 Compositions and methods for inducing cell dedifferentiation THE SCRIPPS RESEARCH INSTITUTE (US) 2012-11-13 US disclosed
US-7951592-B2 Compositions and methods for inducing cell dedifferentiation THE SCRIPPS RESEARCH INSTITUTE (US) 2011-05-31 US disclosed
US-7951592-B2 Compositions and methods for inducing cell dedifferentiation THE SCRIPPS RESEARCH INSTITUTE (US) 2011-05-31 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100022533-A1 COMPOSITIONS AND METHODS FOR INDUCING CELL DEDIFFERENTIATION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-01-28 US disclosed
US-20100022533-A1 COMPOSITIONS AND METHODS FOR INDUCING CELL DEDIFFERENTIATION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-01-28 US disclosed
US-4788190-A 2,4,4-tri- and 2,2,4,4-tetra substituted-1,3-dioxolane antifungal, antiallergy compounds SCHERING CORPORATION (US) 1988-11-29 US disclosed
EP-0278105-A1 2,4,4-Tri- and 2,2,4,4-tetra-substituted-1,3-dioxolane SCHERING CORPORATION (US) 1988-08-17 EP disclosed
WO-1988005048-A1 2,4,4-TRI- AND 2,2,4,4-TETRA SUBSTITUTED-1,3-DIOXOLANE COMPOUNDS SCHERING CORPORATION (US) 1988-07-14 WO disclosed
EP-0072623-B1 IMIDAZOLE ANTIFUNGAL AGENTS Pfizer Limited (GB) 1985-06-05 EP disclosed
US-4435399-A 2-Aryl-1-(imidazol-1-yl)-8-(4-piperazin-1-ylphenoxy) octan-2-ol antifungal agents PFIZER INC. (US) 1984-03-06 US disclosed
EP-0072623-A1 Imidazole antifungal agents Pfizer Limited (GB) 1983-02-23 EP disclosed
US-4358449-A 1-(1,3-Dioxolan-2-ylmethyl)-1H-1,2,4-triazoles and compositions JANSSEN PHARMACEUTICA, N.V. (BE) 1982-11-09 US disclosed
US-4335125-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1982-06-15 US disclosed
US-4223036-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-09-16 US disclosed
US-4144346-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1979-03-13 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-20130196989-A1 COMPOSITIONS AND METHODS FOR INDUCING CELL DEDIFFERENTIATION ALPG, PAX3, RARG KDM4E 1032/4885MAPT 4677/4885ALDH1A1 64/4885
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE PIK3CA, PIK3CD, PIK3CB KDM4E 3910/4885MAPT 4111/4885ALDH1A1 4446/4885
US-20100022533-A1 COMPOSITIONS AND METHODS FOR INDUCING CELL DEDIFFERENTIATION ALPG, PAX3, RARG KDM4E 1032/4885MAPT 4677/4885ALDH1A1 64/4885

“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.