SCHEMBL2166400

SCHEMBL2166400

I[Al](c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
TSHR P16473 5/20 0.33
TRPA1 O75762 1/20 0.33
HSD17B10 Q99714 3/20 0.32
ALOX12 P18054 2/20 0.32
HPGD P15428 2/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
TDP1 Q9NUW8 4/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
GLA P06280 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA14 Q9ULX7 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL1624424 0.79
SCHEMBL2976898 0.71 TSHR (0.39) ALDH1A1TSHRALOX12APOBEC3AAPOBEC3G
SCHEMBL8524658 0.69 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10ALOX12HPGD
SCHEMBL49939 0.69 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10ALOX12HPGD
SCHEMBL8510432 0.69 TSHR (0.37) ALDH1A1TSHRALOX12APOBEC3AAPOBEC3G
Biphenyl SCHEMBL27573864 0.67 ALDH1A1 (0.69) ALDH1A1HSD17B10HPGDTDP1CA1
Ammonia Solution, Strong SCHEMBL6301069 0.67 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10ALOX12HPGD
Hydrochloric Acid SCHEMBL27449759 0.67 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10ALOX12HPGD
SCHEMBL31585928 0.67 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10ALOX12HPGD
SCHEMBL28105654 0.67 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10ALOX12HPGD

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
US-20200179914-A1 METHOD FOR PRODUCING CATALYST POLYPLASTICS CO., LTD. (JP) 2020-06-11 US disclosed
US-7985744-B2 Administering 9,10-secopregna-5,7,10(19),16- tetraene derivative to a patient for treating skin diseases such as psoriasis CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-07-26 US disclosed
US-20040019023-A1 Vitamin d derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-01-29 US disclosed
EP-1295871-A1 VITAMIN D DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-26 EP disclosed
EP-0581611-A2 Process for preparing polyolefins NIPPON OIL Co. Ltd. (JP) 1994-02-02 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 (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-20040019023-A1 Vitamin d derivatives VDR, CYP24A1, CYP2R1 ALDH1A1 1023/4885TSHR 877/4885TRPA1 2453/4885

“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.