SCHEMBL2897282

SCHEMBL2897282

C[Si](C)(C)c1cc(C(=O)O)cc([Si](C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
TPMT P51580 3/20 0.48
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
HIF1A Q16665 1/20 0.46
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
CA3 P07451 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL5833655 0.95 HPGD (0.48) HPGDTPMTTSHRALOX15HIF1A
SCHEMBL29411752 0.82 UNG (0.47) HPGDTPMTTSHRALOX15HIF1A
SCHEMBL8344996 0.80 HPGD (0.50) HPGDTSHRCA12CA1CA2
SCHEMBL8347675 0.80 CA5A (0.48) HPGDCA5AKDM4ELMNAMAPT
Benzoic Acid SCHEMBL8718512 0.79 PARP1 (0.50) HPGDTSHRMAPTHSD17B10TDP1
SCHEMBL8018938 0.78 ACHE (0.62) HPGDTSHRALOX15CA12CA1
Amsilarotene SCHEMBL1133175 0.76 MEN1 (0.58) HPGDTSHRCA12CA2CA9
Hydrochloric Acid SCHEMBL10926742 0.76 ACHE (0.61) HPGDTSHRALOX15CA12CA1
SCHEMBL105892 0.75 HPGD (0.74) HPGDTPMTTSHRALOX15CA12
SCHEMBL8344997 0.75 HPGD (0.48) HPGDTSHRALOX15TP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633335-B2 Retinoid prodrug compound Research Founation Itsuu Laboratory (JP) 2014-01-21 US disclosed
US-8633335-B2 Retinoid prodrug compound Research Founation Itsuu Laboratory (JP) 2014-01-21 US disclosed
US-7855300-B2 Bis(trimethylsilyl)phenyl compound or salt thereof, and use thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-7855300-B2 Bis(trimethylsilyl)phenyl compound or salt thereof, and use thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-20100286427-A1 RETINOID PRODRUG COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2010-11-11 US disclosed
US-20100286427-A1 RETINOID PRODRUG COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2010-11-11 US disclosed
US-20100210591-A1 BIS(TRIMETHYLSILYL)PHENYL COMPOUND OR SALT THEREOF, AND USE THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100210591-A1 BIS(TRIMETHYLSILYL)PHENYL COMPOUND OR SALT THEREOF, AND USE THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
EP-2216322-A1 RETINOID PRODRUG COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-08-11 EP disclosed
EP-2202235-A1 BIS(TRIMETHYLSILYL)PHENYL COMPOUND OR SALT THEREOF, AND USE THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2010-06-30 EP disclosed
US-RE36477-E 4-(3,5-BIS(TRIMETHYLSILYLPHENYL)CARBOXAMIDO)BENZOIC ACID; DIFFERENTIATION-INDUCING REAGENT OR CELLS; ANTICARCINOGENTIC, -TUMOR,-INFLAMMATORY AND -PROLIFERATIVE AGENTS; PSORIASIS; LEUKEMIA; IMMUNOLOGY TAIHO PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0337176-B1 Novel benzoic acid derivatives and process for preparing the same SHUDO KOICHI (JP) 1994-12-21 EP disclosed
US-5155249-A Differentiating neoplastic cells, treating psoriasis, immune or inflammatory diseases TAIHO PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
US-5081271-A Differentiation-inducing agent for neoplastic cells; therapeutic agent for psoriasis or immune and inflammatory diseases TAIHO PHARMACEUTICAL CO., LTD. (JP) 1992-01-14 US disclosed
EP-0337176-A2 Novel benzoic acid derivatives and process for preparing the same Shudo, Koichi, Prof. Dr. (JP) 1989-10-18 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-20100286427-A1 RETINOID PRODRUG COMPOUND STRA6, RXRA, RXRB HPGD 1296/4885TPMT 1530/4885TSHR 156/4885
US-20100210591-A1 BIS(TRIMETHYLSILYL)PHENYL COMPOUND OR SALT THEREOF, AND USE THEREOF RARA, RARB, RXRA HPGD 4099/4885TPMT 2391/4885TSHR 37/4885

“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.