SCHEMBL127848

SCHEMBL127848

COc1cc(Br)cc(C=O)c1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 7/20 0.66
▸ ALDH1A1 P00352 5/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ PRKDC P78527 2/20 0.53
▸ KDM4E B2RXH2 3/20 0.48
▸ TSHR P16473 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ TUBB1 Q9H4B7 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ TUBB4A P04350 1/20 0.43
▸ TUBB P07437 1/20 0.43
▸ TUBA3C P0DPH7 1/20 0.43
▸ TUBA1B P68363 1/20 0.43
▸ TUBA4A P68366 1/20 0.43
▸ TUBB4B P68371 1/20 0.43
▸ TUBB3 Q13509 1/20 0.43
▸ TUBB2A Q13885 1/20 0.43
▸ TUBB8 Q3ZCM7 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
SCHEMBL38659181 0.84 ALDH1A1 (0.71) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL295318 0.83 ALDH1A1 (0.61) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL10322869 0.83 ERN1 (0.51) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL1071145 0.82 ERN1 (0.53) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL16475647 0.82 ERN1 (0.68) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL30903836 0.82 ERN1 (0.54) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL3152057 0.81 PRKDC (0.58) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL22216903 0.81 ERN1 (0.51) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL5883229 0.81 ALDH1A1 (0.62) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL5882295 0.80 ALDH1A1 (0.72) ERN1ALDH1A1CYP1A2CYP2C19PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026102212-A1 MACROCYCLIC MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2026-05-15 — — WO disclosed
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 — — US disclosed
EP-4292662-A2 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2023-12-20 — — EP disclosed
EP-3615514-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2023-11-22 — — EP disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 — — US disclosed
EP-3423435-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2023-08-23 — — EP disclosed
CN-110914242-B Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2023-07-25 — — CN disclosed
US-11596639-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2023-03-07 — — US disclosed
CN-113666812-B Synthesis method of 5-halogenated veratraldehyde 四川大学 2022-06-24 — — CN disclosed
CN-109153643-B Substituted indole MCL-1 inhibitors 范德比尔特大学 2022-06-21 — — CN disclosed
US-5360582-A Compositions with polymers for light sensitive elements MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-11-01 — — US disclosed
EP-0594697-A1 NONLINEAR OPTICAL MATERIALS CONTAINING POLAR DISULFONE-FUNCTIONALIZED MOLECULES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-05-04 — — EP disclosed
WO-1993002383-A1 NONLINEAR OPTICAL MATERIALS CONTAINING POLAR DISULFONE-FUNCTIONALIZED MOLECULES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-02-04 — — WO disclosed
US-5017569-A Cephalosporin derivatives ICI PHARMA (FR) 1991-05-21 — — US disclosed
CN-87108011-A New compounds with pharmacological activity, preparation method and related components thereof ORION YHTYMAE OY (FI) 1988-06-08 — — CN disclosed
US-4243783-A Fluoroaliphaticsulfonyl substituted ethylenes catalysts in polymerization processes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-01-06 — — US disclosed
US-4156696-A Fluoroaliphaticsulfonyl substituted methanes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1979-05-29 — — US disclosed
US-4069233-A Fluoroaliphaticsulfonyl substituted ethylenes substituted by furyl, thenyl, or 1H-pyrrolyl groups MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1978-01-17 — — US disclosed
US-3984357-A Fluoroaliphaticsulfonyl substituted ethylenes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1976-10-05 — — US disclosed
US-3932526-A Fluoroaliphaticsulfonyl substituted ethylenes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1976-01-13 — — 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-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 ERN1 1218/4885ALDH1A1 2556/4885CYP1A2 4125/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 ERN1 1218/4885ALDH1A1 2556/4885CYP1A2 4125/4885
US-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 ERN1 1218/4885ALDH1A1 2556/4885CYP1A2 4125/4885

“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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