SCHEMBL1414596

SCHEMBL1414596

O=Cc1ccc(OC(F)C(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 4/20 0.63
ALDH1A3 P47895 1/20 0.59
ALDH1A1 P00352 4/20 0.48
CYP2A6 P11509 2/20 0.48
STS P08842 1/20 0.42
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 3/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
TYR P14679 1/20 0.39
HSD17B10 Q99714 1/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL29097098 0.88 DRD1 (0.59) DRD1ALDH1A3ALDH1A1CYP2A6STS
SCHEMBL607344 0.83 DRD1 (0.88) DRD1ALDH1A3ALDH1A1CYP2A6STS
SCHEMBL6466375 0.82 DRD1 (0.37) DRD1ALDH1A3ALDH1A1LMNAKMT2A
SCHEMBL6279527 0.80 DRD1 (0.59) DRD1ALDH1A3ALDH1A1CYP2A6STS
SCHEMBL4412891 0.78 DRD1 (1.00) DRD1ALDH1A3ALDH1A1CYP2A6STS
SCHEMBL2536930 0.77 DRD1 (0.51) DRD1ALDH1A1LMNASMN1; SMN2KMT2A
Benzaldehyde SCHEMBL28192272 0.76 DRD1 (0.76) DRD1ALDH1A3ALDH1A1CYP2A6KDM4E
SCHEMBL4928878 0.76 DRD1 (0.59) DRD1ALDH1A3ALDH1A1CYP2A6STS
SCHEMBL384361 0.74 ALDH1A3 (1.00) DRD1ALDH1A3ALDH1A1CYP2A6STS
SCHEMBL14016002 0.74 ALDH1A3 (0.76) DRD1ALDH1A3ALDH1A1CYP2A6STS

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116981658-A Novel contrast agents for magnetic resonance imaging 拜耳股份有限公司 2023-10-31 CN disclosed
EP-2025661-B1 FLUOROALKYLOXY-CONTAINING COMBRETASTATIN DERIVATIVES, PREPARATION AND USE THEREOF ZHEJIANG DADE PHARMACEUTICAL GROUP CO LTD (CN) 2011-03-16 EP disclosed
US-7786098-B2 Fluoroalkoxycombretastatin derivatives, method for producing the same and use thereof ZHEJIANG DADE PHARMACEUTICAL GROUP CO. LTD. (CN) 2010-08-31 US disclosed
EP-2025661-A1 FLUOROALKYLOXY-CONTAINING COMBRETASTATIN DERIVATIVES, PREPARATION AND USE THEREOF Zhejiang Dade Pharmaceutical Group Co., Ltd. (CN) 2009-02-18 EP disclosed
US-20080306027-A1 Fluoroalkoxycombretastatin Derivatives, Method For Producing the Same and Use Thereof ZHEJIANG DADE PHARMACEUTICAL GROUP CO., LTD. (CN) 2008-12-11 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 (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-20080306027-A1 Fluoroalkoxycombretastatin Derivatives, Method For Producing the Same and Use Thereof TUBB, TUBB1, TUBB3 DRD1 4730/4885ALDH1A3 4277/4885ALDH1A1 4116/4885

“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.