SCHEMBL5069170

SCHEMBL5069170

ClC(Cl)(c1ccccc1)c1ccc(Sc2ccc(C(Cl)(Cl)c3ccccc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.46
▸ MAOA P21397 3/20 0.40
▸ MAOB P27338 3/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CHRNA7 P36544 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ KCNN4 O15554 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SLC6A4 P31645 2/20 0.34
▸ MLYCD O95822 1/20 0.34
▸ ESR1 P03372 2/20 0.32
▸ ESR2 Q92731 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL11670749 0.84 TSHR (0.61) TSHRCYP1A2ALDH1A1KCNN4CYP3A4
SCHEMBL11859442 0.82 KIF11 (0.44) TSHRCYP1A2ALDH1A1CYP3A4SLC6A4
SCHEMBL151981 0.82 TSHR (0.65) TSHRCYP1A2ALDH1A1KCNN4CYP3A4
SCHEMBL28193891 0.79 TSHR (0.61) TSHRCYP1A2ALDH1A1KCNN4CYP3A4
Ammonia Solution, Strong SCHEMBL31241190 0.79 TSHR (0.61) TSHRCYP1A2ALDH1A1KCNN4CYP3A4
Hydrochloric Acid SCHEMBL15864874 0.79 TSHR (0.61) TSHRCYP1A2ALDH1A1KCNN4CYP3A4
SCHEMBL16046942 0.76 ESR1 (0.58) TSHRMAOAMAOBALDH1A1HPGD
SCHEMBL7646185 0.75 TSHR (0.50) TSHRCYP1A2MAPK1
SCHEMBL7649802 0.75 KIF11 (0.54) TSHRCYP1A2ALDH1A1KCNN4CYP3A4
SCHEMBL7644095 0.73 TSHR (0.48) TSHRCYP1A2ALDH1A1HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361776-B2 Zero-valent transition metal complex and method for producing an organometallic compound using the same as a starting material SEKISUI CHEMICAL CO., LTD. (JP) 2008-04-22 — — US disclosed
US-20060149088-A1 Zero-valence transition metal complex and method of synthesizing organometallic compound from the same as starting material SEKISUI CHEMICAL CO., LTD. (JP) 2006-07-06 — — 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-20060149088-A1 Zero-valence transition metal complex and method of synthesizing organometallic compound from the same as starting material OSTC, PORCN, SQLE TSHR 4126/4885MAOA 585/4885MAOB 520/4885

“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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