SCHEMBL131790

SCHEMBL131790

COC(=O)c1cc(C)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ CYP46A1 Q9Y6A2 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ AR P10275 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ KDM6B O15054 1/20 0.45
▸ KDM5C P41229 1/20 0.45
▸ KDM4C Q9H3R0 1/20 0.45
▸ KDM2A Q9Y2K7 1/20 0.45
▸ KDM3A Q9Y4C1 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ UHRF1 Q96T88 1/20 0.43
▸ CCR1 P32246 1/20 0.43
▸ CCR5 P51681 1/20 0.43

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
SCHEMBL30800091 0.84 ALDH1A1 (0.54) ALDH1A1CYP46A1KDM4EARMAPK1
SCHEMBL23201168 0.83 ALDH1A1 (0.51) ALDH1A1CYP46A1MAPTKMT2ASMN1; SMN2
SCHEMBL28247183 0.83 UHRF1 (0.42) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL16938788 0.83 KDM4E (0.44) ALDH1A1CYP46A1KDM4EGLAMEN1
SCHEMBL14210410 0.82 FDPS (0.48) ALDH1A1CYP46A1ARMAPK1TP53
SCHEMBL20412652 0.82 CCR1 (0.52) ALDH1A1CYP46A1KDM4EGLAMAPK1
SCHEMBL127699 0.81 CYP1A2 (0.53) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL850841 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EARMAPK1KDM6B
SCHEMBL163424 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EARMAPK1KDM6B
SCHEMBL30065796 0.81 KDM4E (0.62) ALDH1A1KDM4EARMAPK1KDM6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108699006-A 3- ((hetero-) aryl) -8-amino-2-oxo-1, 3-aza-spiro- [4.5] -decane derivative 格吕伦塔尔有限公司 2018-10-23 — — CN claimed
EP-3112352-A1 OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2017-01-04 — — EP claimed
EP-1725537-B1 NOVEL COMPOUNDS AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-07-13 — — EP claimed
JP-9124604-A — — None — — JP disclosed
CN-120129682-A Naphthyridine compounds for inhibition of RAF kinase 英莱汶公司 2025-06-10 — — CN disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 — — US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 — — US disclosed
US-20230158024-A1 CD38 INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2023-05-25 — — US disclosed
US-20230038929-A1 Fused Tricyclic Heterocyclic Compounds and Uses Thereof Verge Analytics, Inc. (US) 2023-02-09 — — US disclosed
WO-2022272060-A1 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. (US) 2022-12-29 — — WO disclosed
US-20220402892-A1 MK2 INHIBITORS AND USES THEREOF XINTHERA, INC. 2022-12-22 — — US disclosed
US-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof PAYNE LINDA S (US) 2003-12-11 — — US disclosed
EP-1196384-A4 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF MERCK & CO INC (US) 2002-10-23 — — EP disclosed
EP-1196384-A1 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF Merck & Co., Inc. (US) 2002-04-17 — — EP disclosed
US-6251919-B1 ADMINISTERING ANILINE DERIVATIVE FOR THERAPY OF PAIN WARNER-LAMBERT 2001-06-26 — — US disclosed
WO-2001000578-A1 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF MERCK & CO., INC. (US) 2001-01-04 — — WO disclosed
WO-1999043658-A1 HETEROCYCLIC SUBSTITUTED ANILINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1999-09-02 — — WO disclosed
JP-H09124604-A PRODUCTION OF 2-PYRIDINECARBOXYLIC ACID DERIVATIVE KURARAY CO LTD 1997-05-13 — — JP disclosed
EP-0060144-A2 Cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1982-09-15 — — EP disclosed
US-4336253-A Cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1982-06-22 — — 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-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD ALDH1A1 2457/4885CYP46A1 611/4885KDM4E 4071/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 ALDH1A1 3140/4885CYP46A1 291/4885KDM4E 1496/4885
US-20230038929-A1 Fused Tricyclic Heterocyclic Compounds and Uses Thereof PIKFYVE, PIK3C2B, PIK3CB ALDH1A1 4840/4885CYP46A1 2070/4885KDM4E 2174/4885
US-20220402892-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, ENPP2, MAPKAPK2 ALDH1A1 4363/4885CYP46A1 2675/4885KDM4E 2054/4885
US-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof CYP2S1, IMPDH1, IDO1 ALDH1A1 145/4885CYP46A1 292/4885KDM4E 1768/4885
US-20230158024-A1 CD38 INHIBITORS CD38, NQO1, NDUFAB1 ALDH1A1 146/4885CYP46A1 2692/4885KDM4E 1196/4885

“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.

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