SCHEMBL13533992

SCHEMBL13533992

CCCc1cc(C(C)C)ccn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ SREBF2 Q12772 12/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ MAPT P10636 3/20 0.38
▸ ATM Q13315 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RXRA P19793 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 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
SCHEMBL18799858 0.89 LMNA (0.40) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL2547950 0.87 KCNH2 (0.42) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL17000201 0.85 KDM4E (0.47) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL11994370 0.84 CYP1A2 (0.46) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL20280911 0.83 HRH1 (0.46) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL12394763 0.83 HRH4 (0.40) KDM4ELMNACYP3A4TSHRALDH1A1
SCHEMBL6638892 0.83 KDM4E (0.38) KDM4ELMNACYP3A4TSHRALDH1A1
SCHEMBL29348302 0.80 RXRA (0.38) KDM4ELMNACYP3A4TSHRALDH1A1
SCHEMBL19821720 0.79 KDM4E (0.35) KDM4ELMNACYP3A4TSHRALDH1A1
SCHEMBL3507581 0.78 TLR9 (0.38) KDM4ELMNACYP3A4TSHRALDH1A1

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-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 — — US disclosed
US-20230138480-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-04 — — US disclosed
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 — — US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 — — US disclosed
US-20180028518-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-02-01 — — US disclosed
EP-2900660-B1 HERBICIDAL AND FUNGICIDAL 3-HETEROARYLISOXAZOLIN-5-CARBOXAMIDES AND 3-HETEROARYLISOXAZOLIN-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2018-01-17 — — EP disclosed
US-9670172-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-06-06 — — US disclosed
EP-2900644-B1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLIN-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLIN-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2016-09-21 — — EP disclosed
WO-2010007114-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 — — WO disclosed
WO-2010007116-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 — — WO 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 (5 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-20230138480-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB KDM4E 1848/4885LMNA 225/4885CYP3A4 3718/4885
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF KDM4E 1816/4885LMNA 2596/4885CYP3A4 4349/4885
US-20180028518-A1 Heterocyclic Compounds and Methods of Use LIPC, CPT1A, FABP1 KDM4E 2233/4885LMNA 999/4885CYP3A4 484/4885
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 KDM4E 4005/4885LMNA 4211/4885CYP3A4 305/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 KDM4E 4005/4885LMNA 4211/4885CYP3A4 305/4885

“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.

Send feedback