SCHEMBL10023966

SCHEMBL10023966

Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc(C)s3)ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 6/20 0.41
▸ PDK2 Q15119 4/20 0.36
▸ HDAC1 Q13547 3/20 0.34
▸ HDAC2 Q92769 3/20 0.34
▸ HDAC3 O15379 2/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ RARA P10276 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ RARG P13631 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL12440734 0.97 PGR (0.40) PGRPDK2HDAC1HDAC2HDAC3
SCHEMBL12744012 0.92 PDK2 (0.38) PGRPDK2MAPT
SCHEMBL12744418 0.90 PDK2 (0.37) PGRPDK2MAPT
SCHEMBL12744014 0.90 PDK2 (0.37) PGRPDK2MAPT
SCHEMBL15070053 0.89 PDK2 (0.39) PGRPDK2
SCHEMBL14850147 0.88 PGR (0.34) PGRPDK2
SCHEMBL12619497 0.88 PTGS1 (0.37) PGRPDK2HDAC1HDAC2HDAC3
SCHEMBL15070055 0.88 PDK2 (0.38) PGRPDK2
SCHEMBL25681781 0.87 PGR (0.34) PGRPDK2
SCHEMBL13523423 0.86 PDK2 (0.40) PGRPDK2DRD2

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
US-20160013392-A1 METHOD OF PRODUCING THERMOELECTRIC CONVERSION ELEMENT AND METHOD OF PREPARATION DISPERSION FOR THERMOELECTRIC CONVERSION LAYER FUJIFILM CORPORATION (JP) 2016-01-14 — — US disclosed
US-20140230871-A1 THERMOELECTRIC CONVERSION MATERIAL AND THERMOELECTRIC CONVERSION ELEMENT FUJIFILM CORPORATION (JP) 2014-08-21 — — US disclosed
US-20120232242-A1 THIAZOLOTHIAZOLE COMPOUND AND THIAZOLOTHIAZOLE POLYMER FUJI XEROX CO., LTD. (JP) 2012-09-13 — — US disclosed
US-8207348-B2 Thiazolothiazole compound and thiazolothiazole polymer FUJI XEROX CO., LTD. (JP) 2012-06-26 — — US disclosed
US-20110086999-A1 THIAZOLOTHIAZOLE COMPOUND AND THIAZOLOTHIAZOLE POLYMER FUJI XEROX CO., LTD. (JP) 2011-04-14 — — US disclosed
US-20070120113-A1 Supramolecular structures and method for forming the same NATIONAL TAIWAN UNIVERSITY (TW) 2007-05-31 — — 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 (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-20110086999-A1 THIAZOLOTHIAZOLE COMPOUND AND THIAZOLOTHIAZOLE POLYMER ARL1, IRAK1, TYK2 PGR 1758/4885PDK2 690/4885HDAC1 173/4885
US-20070120113-A1 Supramolecular structures and method for forming the same RDX, NBAS, SOD1 PGR 1976/4885PDK2 4049/4885HDAC1 3939/4885

“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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