SCHEMBL805079

SCHEMBL805079

O=C(O)[C@H]1C[C@@H]1c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.60
FFAR1 O14842 7/20 0.59
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
HDAC4 P56524 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
RECQL P46063 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
CNR1 P21554 1/20 0.43
HTR2A P28223 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
SCHEMBL13544388 1.00 SLC9A1 (0.60) SLC9A1FFAR1ALDH1A1HPGDHDAC4
SCHEMBL4210867 1.00 SLC9A1 (0.60) SLC9A1FFAR1ALDH1A1HPGDHDAC4
SCHEMBL3751420 1.00 SLC9A1 (0.60) SLC9A1FFAR1ALDH1A1HPGDHDAC4
SCHEMBL7651885 1.00 SLC9A1 (0.60) SLC9A1FFAR1ALDH1A1HPGDHDAC4
SCHEMBL6832060 1.00 SLC9A1 (0.60) SLC9A1FFAR1ALDH1A1HPGDHDAC4
SCHEMBL301295 1.00 SLC9A1 (0.60) SLC9A1FFAR1ALDH1A1HPGDHDAC4
SCHEMBL3119991 0.89 SLC9A1 (0.50) SLC9A1FFAR1ALDH1A1HPGDLMNA
SCHEMBL28574668 0.83 FFAR1 (0.50) SLC9A1FFAR1ALDH1A1HPGDHDAC4
SCHEMBL2835480 0.82 SLC9A1 (0.68) SLC9A1FFAR1ALDH1A1HPGDLMNA
SCHEMBL6130283 0.82 SLC9A1 (0.58) SLC9A1FFAR1ALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021427-B2 Pd(II)-catalyzed enantioselective C—H arylation of free carboxylic acids THE SCRIPPS RESEARCH INSTITUTE (US) 2021-06-01 US disclosed
US-8853390-B2 Processes for preparing 1,2-substituted cyclopropyl derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
US-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives ABBOTT LABORATORIES (US) 2012-03-22 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 (2 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-11021427-B2 Pd(II)-catalyzed enantioselective C—H arylation of free carboxylic acids PDCD1, PDK3, PDCD1LG2 SLC9A1 2367/4885FFAR1 119/4885ALDH1A1 135/4885
US-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives HRH3, HRH4, HRH1 SLC9A1 320/4885FFAR1 211/4885ALDH1A1 1799/4885

“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.