SCHEMBL1005318

SCHEMBL1005318

CC(=O)OCCCCCBr

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
LMNA P02545 2/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
TSHR P16473 4/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
HTR1A P08908 1/20 0.43
CHRNB2 P17787 1/20 0.43
TBXA2R P21731 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNA10 Q9GZZ6 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
SCHEMBL27051190 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL1263888 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL11235634 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL11219530 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL52919 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL14674017 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL535694 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL535182 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL1264640 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL19637930 0.98 ALDH1A1 (0.54) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355617-A1 Process for the manufacture of benzopyran derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-02-28 EP claimed
JP-2108684-A None JP disclosed
US-11833208-B2 PLK1 selective degradation inducing compound UPPTHERA, INC. (KR) 2023-12-05 US disclosed
US-20230372498-A1 PLK1 SELECTIVE DEGRADATION INDUCING COMPOUND UPPTHERA (KR) 2023-11-23 US disclosed
CN-115286523-A Preparation and use of lipid molecules and compositions thereof for the delivery of active ingredients 中国科学院基础医学与肿瘤研究所(筹) 2022-11-04 CN disclosed
EP-3162799-B1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2021-03-10 EP disclosed
EP-3162799-B1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2021-03-10 EP disclosed
US-10696640-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2020-06-30 US disclosed
US-10696640-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2020-06-30 US disclosed
US-10647747-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2020-05-12 US disclosed
US-5434186-A Antiinflammatory agents HOFFMANN-LA ROCHE INC. (US) 1995-07-18 US disclosed
WO-1994015900-A1 ANTI-ANDROGENIC CYCLO AND BICYCLO ALKENES LAFOR LABORATORIES LIMITED (US) 1994-07-21 WO disclosed
US-5273999-A A 4-keto-boroalkyleneoxychroman or 2,3-dihydrobenzofuran derivative HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed
US-5264619-A Anti-androgenic cyclo and bicyclo alkenes LAFOR LABORATORIES LIMITED (US) 1993-11-23 US disclosed
CN-1071423-A BICYCLIC CARBOXYLIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 1993-04-28 CN disclosed
EP-0531823-A1 Bicyclic carboxylic acid derivatives as anti-inflammatory agents F. HOFFMANN-LA ROCHE AG (CH) 1993-03-17 EP disclosed
US-5003090-A Chemical Intermediates HOFFMANN-LA ROCHE INC. (US) 1991-03-26 US disclosed
US-4931574-A Process for the preparation of benzopyrans HOFFMANN-LA ROCHE INC. (US) 1990-06-05 US disclosed
JP-H02108684-A PRODUCTION OF BENZOPYRAN DERIVATIVE F HOFFMANN LA ROCHE AG 1990-04-20 JP disclosed
EP-0355617-A1 Process for the manufacture of benzopyran derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-02-28 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 (4 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-20230372498-A1 PLK1 SELECTIVE DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 ALDH1A1 3592/4885LMNA 2055/4885APOBEC3A 3203/4885
US-10696640-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 ALDH1A1 2072/4885LMNA 3147/4885APOBEC3A 3353/4885
US-10647747-B2 Cyclosporin derivatives and uses thereof FKBP5, FKBP1B, MALT1 ALDH1A1 2350/4885LMNA 2857/4885APOBEC3A 2971/4885
US-11833208-B2 PLK1 selective degradation inducing compound PLK1, BUB1B, BUB1 ALDH1A1 3592/4885LMNA 2055/4885APOBEC3A 3203/4885

“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.