SCHEMBL8077097

SCHEMBL8077097

COC(=O)CCOCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
LMNA P02545 2/20 0.57
KDM4E B2RXH2 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.49
CA12 O43570 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 1/20 0.48
LTA4H P09960 2/20 0.48
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ESRRB O95718 1/20 0.45
FOLH1 Q04609 1/20 0.44
AKT1 P31749 1/20 0.44
EPHX2 P34913 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
SCHEMBL22636310 0.97 ALDH1A1 (0.54) ALDH1A1LMNAKDM4ESMN1; SMN2CA12
SCHEMBL25030109 0.97 ALDH1A1 (0.54) ALDH1A1LMNAKDM4ESMN1; SMN2CA12
SCHEMBL4109675 0.90 LMNA (0.54) ALDH1A1LMNAKDM4ESMN1; SMN2CA12
SCHEMBL12147930 0.88 EPHX2 (0.53) ALDH1A1LMNAKDM4ESMN1; SMN2CA12
SCHEMBL6508631 0.88 ALDH1A1 (0.49) ALDH1A1LMNAKDM4ESMN1; SMN2CA12
SCHEMBL24757124 0.87 LMNA (0.51) ALDH1A1LMNAKDM4ESMN1; SMN2CA12
SCHEMBL25308442 0.87 EPHX2 (0.55) ALDH1A1LMNAKDM4ESMN1; SMN2LTA4H
SCHEMBL13041145 0.85 ALDH1A1 (0.47) ALDH1A1LMNAKDM4ESMN1; SMN2CA12
SCHEMBL12026347 0.84 AKT1 (0.55) ALDH1A1LMNAKDM4ESMN1; SMN2CA12
SCHEMBL26115850 0.84 EPHX2 (0.53) ALDH1A1LMNAKDM4ESMN1; SMN2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283699-A Method for synthesizing fluoroalkyl substituted pyrrolidine 遵义医科大学 2023-06-23 CN claimed
EP-0641208-B1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 2000-08-02 EP claimed
EP-0778284-A2 New 7-beta-substituted-4-aza-5alpha-androstan-3-ones as 5alpha-reductase inhibitors MERCK & CO. INC. (US) 1997-06-11 EP claimed
US-5620986-A TREATS BENIGN PROSTATIC HYPERTROPHY, SEBORRHEA, FEMALE HIRSUTISM, AND MALE AND FEMALE PATTEN BALDNESS MERCK & CO., INC. (US) 1997-04-15 US claimed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed
WO-1993023420-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed
EP-0060416-B1 NEW BETA-LACTAM ACETIC ACID DERIVATIVES, THE PROCESS FOR PREPARING THEM, AND THEIR USE AS INTERMEDIATES FOR 1-AZABICYCLO(3.2.0.)HEPT-2-ENE ANTIBIOTICS GRUPPO LEPETIT S.P.A. (IT) 1986-08-20 EP claimed
EP-0060416-A1 New beta-lactam acetic acid derivatives, the process for preparing them, and their use as intermediates for 1-azabicyclo(3.2.0.)hept-2-ene antibiotics GRUPPO LEPETIT S.P.A. (IT) 1982-09-22 EP claimed
US-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2023-07-27 US disclosed
US-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2023-07-27 US disclosed
US-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2023-07-27 US disclosed
CN-116283699-A Method for synthesizing fluoroalkyl substituted pyrrolidine 遵义医科大学 2023-06-23 CN disclosed
CN-113233972-B Synthesis method of (R) -2-benzyloxy propionic acid and intermediate thereof 南京红杉生物科技有限公司 2022-09-02 CN disclosed
WO-2021263079-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. (US) 2021-12-30 WO disclosed
EP-0191448-A2 Antihypertensive dihydropyridine derivatives SYNTEX (U.S.A.) INC. (US) 1986-08-20 EP disclosed
US-4595690-A Hypotensive agents SYNTEX (U.S.A.) INC. (US) 1986-06-17 US disclosed
EP-0079134-B1 STEREOSPECIFIC SYNTHESIS OF 5-PHENYL-2S-PENTANOL PFIZER INC. (US) 1985-02-06 EP disclosed
US-4427590-A Triazolobenzodiazepine derivatives CIBA-GEIGY CORPORATION (US) 1984-01-24 US disclosed
US-4412958-A Stereospecific synthesis of 5-phenyl-2S-pentanol PFIZER INC. (US) 1983-11-01 US disclosed
EP-0079134-A1 Stereospecific synthesis of 5-phenyl-2S-pentanol PFIZER INC. (US) 1983-05-18 EP 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 (1 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-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF FEN1, ERCC4, DCLRE1B ALDH1A1 1451/4885LMNA 387/4885KDM4E 2430/4885

“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.