SCHEMBL6613233

SCHEMBL6613233

O=CCCCOc1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 7/20 0.56
▸ MAPT P10636 2/20 0.55
▸ HPGD P15428 4/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ TSHR P16473 3/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ TDP1 Q9NUW8 2/20 0.51
▸ NLRP1 Q9C000 1/20 0.50
▸ MAPK1 P28482 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48

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
SCHEMBL96584 0.95 S1PR4 (0.55) S1PR4MAPTHPGDRAB9ATSHR
SCHEMBL11090540 0.91 S1PR4 (0.57) S1PR4MAPTHPGDRAB9ATSHR
SCHEMBL22557984 0.83 KDM4E (0.57) MAPTHPGDRAB9ATSHRNPC1
SCHEMBL11413525 0.81 S1PR4 (0.66) S1PR4MAPTTDP1
SCHEMBL22558161 0.80 L3MBTL1 (0.45) S1PR4MAPTHPGDRAB9ATSHR
SCHEMBL3736949 0.80 TDP1 (0.56) S1PR4MAPTHPGDRAB9ATSHR
SCHEMBL98231 0.80 ALDH1A1 (0.54) S1PR4MAPTRAB9ATSHRTDP1
SCHEMBL7237501 0.80 MAPT (0.58) S1PR4MAPTHPGDRAB9ATSHR
SCHEMBL8410383 0.78 TDP1 (0.58) S1PR4MAPTHPGDRAB9ATSHR
SCHEMBL9214093 0.78 MAPT (0.57) S1PR4MAPTHPGDRAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114206831-A Conjugates of auxin analogs 以色列国家农业部、农村发展农业研究组织·沃尔卡尼中心 2022-03-18 — — CN disclosed
EP-3956294-A1 CONJUGATES OF AUXIN ANALOGS The State of Israel, Ministry of Agriculture and Rural Development, Agricultural Research Organization (ARO) (Volcani Center) (IL) 2022-02-23 — — EP disclosed
US-20220030866-A1 CONJUGATES OF AUXIN ANALOGS THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (IL) 2022-02-03 — — US disclosed
WO-2020212993-A1 CONJUGATES OF AUXIN ANALOGS THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2020-10-22 — — WO disclosed
EP-1421071-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS NOVO NORDISK A/S (DK) 2004-05-26 — — EP disclosed
WO-2003004480-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2003-01-16 — — WO 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-20220030866-A1 CONJUGATES OF AUXIN ANALOGS CROCC, CCNY, AGXT S1PR4 3004/4885MAPT 4290/4885HPGD 4089/4885

“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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