SCHEMBL3899036

SCHEMBL3899036

Sc1ccccc1C(Cl)(Cl)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.39
KCNN4 O15554 4/20 0.38
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL11724522 0.83 TSHR (0.55) TSHRALDH1A1KCNN4CYP1A2MAPT
SCHEMBL21189687 0.76 TSHR (0.42) TSHRALDH1A1KCNN4CYP1A2MAPT
SCHEMBL6001675 0.75 TSHR (0.39) TSHRKCNN4MAPTHDAC8MAPK1
SCHEMBL6337202 0.74 KCNN4 (0.59) TSHRALDH1A1KCNN4CYP1A2MAPT
SCHEMBL151981 0.74 TSHR (0.65) TSHRALDH1A1KCNN4CYP1A2MAPK1
SCHEMBL10892336 0.74 TSHR (0.41) TSHRALDH1A1KCNN4CYP1A2CRHBP
SCHEMBL27875145 0.73 TSHR (0.38) TSHRKCNN4MAPTHDAC8MAPK1
SCHEMBL27858532 0.73 TSHR (0.38) TSHRKCNN4MAPTHDAC8MAPK1
SCHEMBL11865406 0.73 TSHR (0.44) TSHRALDH1A1KCNN4CYP1A2MAPK1
SCHEMBL11861229 0.73 KCNN4 (0.48) TSHRALDH1A1KCNN4CYP1A2

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
EP-1431302-B1 PROCESS FOR SYNTHESIS OF ORGANOMETALLIC COMPOUNDS SEKISUI CHEMICAL CO LTD (JP) 2009-03-18 EP disclosed
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-7098355-B2 Process for synthesis of organometallic compounds SEKISUI CHEMICAL CO., LTD. (JP) 2006-08-29 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
US-20060030723-A1 Process for synthesis of organometallic compounds SEKISUI CHEMICAL CO., LTD. (JP) 2006-02-09 US disclosed
EP-1431302-A1 PROCESS FOR SYNTHESIS OF ORGANOMETALLIC COMPOUNDS SEKISUI CHEMICAL CO., LTD. (JP) 2004-06-23 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 (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-20060030723-A1 Process for synthesis of organometallic compounds CYP4F12, CYP4F2, CYP4F11 TSHR 3234/4885ALDH1A1 3063/4885KCNN4 2873/4885
US-20060149088-A1 Zero-valence transition metal complex and method of synthesizing organometallic compound from the same as starting material OSTC, PORCN, SQLE TSHR 4126/4885ALDH1A1 3035/4885KCNN4 308/4885

“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.