SCHEMBL876998

SCHEMBL876998

CCCCCC(Cl)(CCCCC)CCCCC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
THRB P10828 1/20 0.44
FDPS P14324 11/20 0.42
SMPD1 P17405 2/20 0.41
ALDH1A1 P00352 1/20 0.40
GGPS1 O95749 7/20 0.39
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CES2 O00748 1/20 0.36

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
SCHEMBL28639329 0.97 TSHR (0.50) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL5178216 0.97 TSHR (0.50) TSHRTHRBFDPSSMPD1ALDH1A1
Ammonia Solution, Strong SCHEMBL11830303 0.97 TSHR (0.41) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL9808534 0.97 TSHR (0.50) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL8685461 0.97 TSHR (0.50) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL7613996 0.97 TSHR (0.50) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL8685667 0.97 TSHR (0.50) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL8687488 0.97 TSHR (0.50) TSHRTHRBFDPSSMPD1ALDH1A1
Ammonia Solution, Strong SCHEMBL11831224 0.94 TSHR (0.47) TSHRTHRBFDPSSMPD1ALDH1A1
Ammonia Solution, Strong SCHEMBL11832302 0.94 TSHR (0.47) TSHRTHRBFDPSSMPD1ALDH1A1

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 97 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280753-A1 PROCESS FOR PREPARATION OF R-1-(ARYLOXY)PROPAN-2-OL Rhodia/Chirex, Inc. (US) 2003-02-05 EP claimed
US-6448449-B2 RING OPENING OF (R)-PROPYLENE OXIDE WITH ARYLTRIMETHYLSILYL ETHER IN THE PRESENCE OF AN OPTICALLY ACTIVE CATALYST; REACTING WITH AN ALCOHOL IN THE PRESENCE OF AN ACID; REACTING THE REGIOISOMERIC MIXTURE WITH A TRIARYLMETHYL HALILE; RHODIA CHIREX, INC. 2002-09-10 US claimed
US-20020007090-A1 Process for preparation of (R)-1- (aryloxy)propan-2-ol RHODIA CHIREX, INC. 2002-01-17 US claimed
WO-2001081286-A1 PROCESS FOR PREPARATION OF R-1-(ARYLOXY)PROPAN-2-OL RHODIA/CHIREX, INC. (US) 2001-11-01 WO claimed
WO-1993000395-A1 ADDITIVES WHICH STABILIZE HYDROHALOCARBON BLOWING AGENT IN POLYURETHANE AND POLYISOCYANURATE FOAM FORMULATIONS DURING POLYMERIZATION ALLIED-SIGNAL INC. (US) 1993-01-07 WO claimed
US-5137929-A Additives which stabilize hydrohalocarbon blowing agent in polyurethane and polyisocyanurate foam formulations during polymerization ALLIED-SIGNAL INC. (US) 1992-08-11 US claimed
WO-2024081372-A1 PROCESSES FOR THE PREPARATION OF THE AGENT-LINKER CONJUGATE CL2A-SN-38 AND THE IMMUNOCONJUGATES SACITUZUMAB GOVITECAN AND LABETUZUMAB GOVETICAN GILEAD SCIENCES, INC. (US) 2024-04-18 WO disclosed
US-11034687-B2 BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-06-15 US disclosed
CN-107406440-B BACE1 inhibitors 豪夫迈·罗氏有限公司 2021-05-07 CN disclosed
US-20200308166-A1 BACE1 INHIBITORS HOFFMANN-LA ROCHE INC. 2020-10-01 US disclosed
EP-3271355-B1 BACE1 INHIBITORS HOFFMANN LA ROCHE (CH) 2020-07-29 EP disclosed
US-10723729-B2 BACE1 inhibitors Hoffmann-Le Roche Inc. (US) 2020-07-28 US disclosed
US-20190337936-A1 BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-11-07 US disclosed
US-4670175-A APROTIC SOLVENT WITH A HEXAFLUOROPHOSPHATE OF A TETRAALKYL AMMONIUM, DIAZONIUM, OR TRIARYLCARBONYL GROUP NIPPON CHEMI-CON CORPORATION (JP) 1987-06-02 US disclosed
US-4668777-A POLYNUCLEOTIDE INTERMEDIATES UNIVERSITY PATENTS, INC. (US) 1987-05-26 US disclosed
EP-0210657-A1 Amino acid derivatives, and their production SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-02-04 EP disclosed
EP-0061746-B1 PHOSPHORAMIDITE COMPOUNDS AND THEIR USE IN PRODUCING OLIGONUCLEOTIDES UNIVERSITY PATENTS, INC. (US) 1985-03-20 EP disclosed
US-4500707-A Nucleosides useful in the preparation of polynucleotides UNIVERSITY PATENTS, INC. (US) 1985-02-19 US disclosed
EP-0061746-A1 Phosphoramidite compounds and their use in producing oligonucleotides UNIVERSITY PATENTS, INC. (US) 1982-10-06 EP disclosed
US-4171426-A ANIONIC CATALYST, 2-PYRROLIDONE OR E-CAPROLACTAM CHEVRON RESEARCH COMPANY (US) 1979-10-16 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 (5 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-20190337936-A1 BACE1 INHIBITORS BACE1, BACE2, APP TSHR 4825/4885THRB 2942/4885FDPS 1864/4885
US-20020007090-A1 Process for preparation of (R)-1- (aryloxy)propan-2-ol TOP1, POLN, RIF1 TSHR 845/4885THRB 1193/4885FDPS 493/4885
US-20200308166-A1 BACE1 INHIBITORS BACE1, BACE2, APP TSHR 4825/4885THRB 2942/4885FDPS 1864/4885
US-10723729-B2 BACE1 inhibitors BACE1, BACE2, APP TSHR 4825/4885THRB 2942/4885FDPS 1864/4885
US-11034687-B2 BACE1 inhibitors BACE1, BACE2, APP TSHR 4825/4885THRB 2942/4885FDPS 1864/4885

“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.