SCHEMBL11223887

SCHEMBL11223887

O=[C]CCCOc1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
TDP1 Q9NUW8 2/20 0.51
HPGD P15428 5/20 0.51
TSHR P16473 3/20 0.51
RAB9A P51151 3/20 0.51
MAPK1 P28482 3/20 0.51
NPC1 O15118 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C19 P33261 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP2D6 P10635 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
THPO P40225 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
S1PR4 O95977 7/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL96583 0.95 MAPT (0.54) MAPTTDP1HPGDTSHRRAB9A
SCHEMBL11090538 0.91 TDP1 (0.53) MAPTTDP1HPGDTSHRRAB9A
SCHEMBL6686754 0.83 KDM4E (0.57) MAPTHPGDTSHRRAB9AMAPK1
SCHEMBL11413525 0.81 S1PR4 (0.66) MAPTTDP1S1PR4
SCHEMBL16999887 0.80 MAPT (0.55) MAPTTDP1HPGDTSHRRAB9A
SCHEMBL2641277 0.80 TDP1 (0.56) MAPTTDP1HPGDTSHRSMN1; SMN2
SCHEMBL22558160 0.80 NR1I2 (0.46) TDP1TSHRMAPK1MAOAMAOB
SCHEMBL98230 0.80 ALDH1A1 (0.50) MAPTHPGDTSHRRAB9AMAPK1
SCHEMBL7237501 0.80 MAPT (0.58) MAPTTDP1HPGDTSHRRAB9A
SCHEMBL8410383 0.78 TDP1 (0.58) MAPTTDP1HPGDTSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4349488-A Process for producing esters of 3,5-dibromo-4-hydroxybenzonitrile GREAT LAKES CHEMICAL CORPORATION (US) 1982-09-14 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-20220030866-A1 CONJUGATES OF AUXIN ANALOGS CROCC, CCNY, AGXT MAPT 4290/4885TDP1 4009/4885HPGD 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.