SCHEMBL582727

SCHEMBL582727

O=C(O)C/C=C\c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAM P19021 2/20 1.00
▸ MAOB P27338 5/20 0.61
▸ ALDH1A1 P00352 3/20 0.52
▸ HDAC1 Q13547 3/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ HDAC3 O15379 2/20 0.52
▸ HDAC4 P56524 2/20 0.52
▸ HDAC2 Q92769 2/20 0.52
▸ HDAC8 Q9BY41 2/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.52
▸ PLIN1 O60240 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ RECQL P46063 2/20 0.52
▸ PLIN5 Q00G26 2/20 0.52
▸ ABHD5 Q8WTS1 2/20 0.52
▸ TNKS O95271 1/20 0.52
▸ HCAR2 Q8TDS4 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52
▸ HDAC10 Q969S8 1/20 0.52

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
SCHEMBL2148302 1.00 PAM (1.00) PAMMAOBALDH1A1HDAC1CYP2D6
SCHEMBL156767 1.00 PAM (1.00) PAMMAOBALDH1A1HDAC1CYP2D6
Ammonia Solution, Strong SCHEMBL6327623 0.98 PAM (0.96) PAMMAOBALDH1A1HDAC1CYP2D6
Ammonia Solution, Strong SCHEMBL6327618 0.98 PAM (0.96) PAMMAOBALDH1A1HDAC1CYP2D6
SCHEMBL387249 0.98 PAM (0.96) PAMMAOBALDH1A1HDAC1CYP2D6
Hydrochloric Acid SCHEMBL28759894 0.98 PAM (0.96) PAMMAOBALDH1A1HDAC1CYP2D6
Hydroxyamine SCHEMBL30636634 0.96 PAM (0.92) PAMMAOBALDH1A1HDAC1CYP2D6
Hydrazine SCHEMBL29236551 0.96 PAM (0.92) PAMMAOBALDH1A1HDAC1CYP2D6
Acetic Acid SCHEMBL30574222 0.94 PAM (0.88) PAMMAOBALDH1A1HDAC1CYP2D6
Butadiene SCHEMBL27795141 0.92 PAM (0.85) PAMMAOBALDH1A1HDAC1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190144443-A1 ASYMMETRIC CONJUGATE COMPOUNDS PHEON THERAPEUTICS LTD (GB) 2019-05-16 — — US disclosed
EP-1369906-B1 POLISHING COMPOUND AND METHOD FOR POLISHING SUBSTRATE HITACHI CHEMICAL CO LTD (JP) 2012-06-27 — — EP disclosed
EP-2418258-A1 Polishing slurry and method of polishing substrate Hitachi Chemical Company, Ltd. (JP) 2012-02-15 — — EP disclosed
US-6786945-B2 Polishing compound and method for polishing substrate HITACHI CHEMICAL CO., LTD. (JP) 2004-09-07 — — US disclosed
US-20040065022-A1 Polishing compound and method for polishing substrate HITACHI CHEMICAL CO., LTD. (JP) 2004-04-08 — — US disclosed
EP-1369906-A1 POLISHING COMPOUND AND METHOD FOR POLISHING SUBSTRATE HITACHI CHEMICAL COMPANY, LTD. (JP) 2003-12-10 — — EP disclosed
US-4303548-A Process for coating dispersed minute droplets with membrane MITSUBISHI PAPER MILLS, LTD. (JP) 1981-12-01 — — 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-20190144443-A1 ASYMMETRIC CONJUGATE COMPOUNDS TUBA1C, MTX2, CCNO PAM 892/4885MAOB 1326/4885ALDH1A1 2302/4885

“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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